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615-15-6,MFCD00005598
Catalog No.:AA003HLV
615-15-6 | 2-Methyl-1H-benzo[d]imidazole
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Technical Information
Catalog Number:
AA003HLV
Chemical Name:
2-Methyl-1H-benzo[d]imidazole
CAS Number:
615-15-6
Molecular Formula:
C8H8N2
Molecular Weight:
132.1625
MDL Number:
MFCD00005598
IUPAC Name:
2-methyl-1H-benzimidazole
InChI:
InChI=1S/C8H8N2/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3,(H,9,10)
InChI Key:
LDZYRENCLPUXAX-UHFFFAOYSA-N
SMILES:
Cc1nc2c([nH]1)cccc2
EC Number:
210-411-9
UNII:
ZH8IWW7Y8B
NSC Number:
6500
Properties
Computed Properties
 
Complexity:
124  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.069g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
132.166g/mol
Monoisotopic Mass:
132.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

Synonyms
 
2-MBIA 
2-methyl-1H-benzimidazole 
Acetamidine, N-N'-o-phenylene- 
2-methyl-1H-benzo(d)imidazole 
C8H8N2 
C8-H8-N2 
CID11984 
1H-Benzimidazole, 2-methyl- (9CI) 
ACN-029805 
2-Methylbenzimidazole, 98% - 100G 100g 
2-Methyl-1H-benzoimidazole 
UNII-ZH8IWW7Y8B 
2-methyl benzimidazole 
Methyl-2-benzimidazole 
NSC 6500 
EINECS 210-411-9 
MFCD00005598 
ZH8IWW7Y8B 
BRN 0112264 
2-methylbenzimidazole 
2-Methylbenzimidazole, 98% 
AI3-51528 
CHEMBL309135 
2-Methyl-1~{h}-Benzimidazole 
LDZYRENCLPUXAX-UHFFFAOYSA-N 
F0401-0069 
2-methybenzimidazole 
2-methylbenaimidazole 
2-methylbenzoimidazole 
PubChem7540 
2-METHYLBENZIMIDAZOLE 
2-methyl-benzimidazole 
1H-2-Methylbenzimidazol 
1H-2-Methylbenzimidazole 
2-methylbenzo[d]imidazole 
2-(Methyl)-Benzimidazole 
ACMC-1BI7J 
AC1L1YL0 
AC1Q2PC9 
5-23-06-00320 (Beilstein Handbook Reference) 
KSC490O7R 
615-15-6 
SCHEMBL111276 
DTXSID5060641 
CTK3J0778 
WLN: T56 BM DNJ C1 
NSC6500 
HMS1747B01 
ZINC164607 
ACT06463 
BCP27368 
KS-00000DD7 
2-methyl-1H-benzo[d]imidazole 
NSC-6500 
ANW-33840 
BBL009671 
BDBM50404850 
SBB046157 
STK057579 
AKOS000119165 
AB00442 
CS-W013410 
DS-1554 
1H-Benzimidazole, 2-methyl- 
MCULE-7622017709 
RTC-072230 
TRA0007780 
30304-58-6 
AJ-16235 
AK-44028 
AM808087 
AN-46557 
BP-12750 
BR-44028 
2-Methyl-1H-benzimidazole 
CJ-02184 
L307 
LS-33044 
SC-05758 
SY015991 
TS-01713 
ZB008224 
ST2410111 
TC-072230 
TL8007283 
Benzimidazole, 2-methyl- 
BB 0240414 
FT-0083523 
FT-0613007 
M0286 
ST45061647 
MFCD00005598 (98%) 
A15695 
S-1988 
AB00981800-01 
AE-641/30396016 
2-METHYL-1H-1,3-BENZODIAZOLE 
I01-1186 
Q-101088 
2-Methylbenzimidazole, Vetec(TM) reagent grade, 98% 
Z55692894 
InChI=1/C8H8N2/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3,(H,9,10 
8P7 
Methylbenzimidazole 
2-Methylenzimidazole 
Benzimidazole, methyl- 
1H-Benzimidazole, methyl- 
Literature

Title: Bis(2-methyl-1H-benzimidazol-3-ium) naphthalene-1,5-disulfonate.

Journal: Acta crystallographica. Section E, Structure reports online 20121001

Title: 2-Methyl-1H-benzimidazol-3-ium hydrogen phthalate.

Journal: Acta crystallographica. Section E, Structure reports online 20111001

Title: 2-Chloro-methyl-1-methyl-1,3-benzimidazole.

Journal: Acta crystallographica. Section E, Structure reports online 20110801

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Bis[bis-(3,5-diamino-1H-1,2,4-triazol-4-ium)copper(I)] tris-(hexa-fluoridosilicate).

Journal: Acta crystallographica. Section E, Structure reports online 20101101

Title: Di-μ-thio-cyanato-κN:S;κS:N-bis-[bis-(2-methyl-1H-benzimidazole-κN)(thio-cyanato-κN)cadmium(II)].

Journal: Acta crystallographica. Section E, Structure reports online 20101101

Title: 2-Methyl-benzimidazolium thio-cyanate.

Journal: Acta crystallographica. Section E, Structure reports online 20101101

Title: 2-Methyl-benzimidazolium thio-cyanate-2-methyl-benzimidazole (1/1).

Journal: Acta crystallographica. Section E, Structure reports online 20100901

Title: Molecular structure and vibrational spectra of 2- and 5-methylbenzimidazole molecules by density functional theory.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20100701

Title: Tetra-kis(2-methyl-benzimidazolium) β-octa-molybdate(VI).

Journal: Acta crystallographica. Section E, Structure reports online 20100501

Title: Bis[μ-2,2'-dimethyl-1,1'-(oxydiethyl-ene)bis-(1H-benzimidazole)-κN:N]bis-[bis-(4-methoxy-benzoato-κO,O')cadmium(II)].

Journal: Acta crystallographica. Section E, Structure reports online 20100401

Title: 2-Methyl-benzimidazolium nitrate.

Journal: Acta crystallographica. Section E, Structure reports online 20100401

Title: 1,3-Dibenzyl-2-methyl-benzimidazolium chloride.

Journal: Acta crystallographica. Section E, Structure reports online 20100201

Title: Synthesis, characterization, and biological evaluation of benzimidazole derivatives as potential anxiolytics.

Journal: Journal of young pharmacists : JYP 20100101

Title: Cytotoxic activity, X-ray crystal structures and spectroscopic characterization of cobalt(II), copper(II) and zinc(II) coordination compounds with 2-substituted benzimidazoles.

Journal: Journal of inorganic biochemistry 20090901

Title: 2-Meth-oxy-6-(6-methyl-1H-benzimidazol-2-yl)phenol.

Journal: Acta crystallographica. Section E, Structure reports online 20090601

Title: Synthesis, pharmacological screening, quantum chemical and in vitro permeability studies of N-Mannich bases of benzimidazoles through bovine cornea.

Journal: European journal of medicinal chemistry 20090501

Title: QSAR analysis of 2-amino or 2-methyl-1-substituted benzimidazoles against Pseudomonas aeruginosa.

Journal: International journal of molecular sciences 20090401

Title: Ethyl 2-(2-methyl-1H-benzimidazol-1-yl)acetate.

Journal: Acta crystallographica. Section E, Structure reports online 20080901

Title: Syntheses and structures of two chiral zincophosphite compounds: [Zn(C8H8N2)(HPO3)] and (C6H13N2)[Zn3(C6H12N2)(HPO3)3(H2PO3)].

Journal: Dalton transactions (Cambridge, England : 2003) 20080421

Title: 1,1'-(4-Oxoheptane-1,7-di-yl)bis-(2-methyl-1H-benzimidazole) penta-hydrate.

Journal: Acta crystallographica. Section E, Structure reports online 20080101

Title: Synthesis and inhibitory activity of new benzimidazole derivatives against Burkitt's lymphoma promotion.

Journal: Bioorganic & medicinal chemistry 20071001

Title: Inhibition of monoamine oxidase B by selected benzimidazole and caffeine analogues.

Journal: Bioorganic & medicinal chemistry 20070601

Title: Molecular modeling of some 1H-benzimidazole derivatives with biological activity against Entamoeba histolytica: a comparative molecular field analysis study.

Journal: Bioorganic & medicinal chemistry 20070115

Title: (Glycylglycinato-kappa3O,N,N')(2-methyl-1H-benzimidazole-kappaN3)copper(II) trihydrate.

Journal: Acta crystallographica. Section C, Crystal structure communications 20060601

Title: Metabolism of pantoprazole involving conjugation with glutathione in rats.

Journal: The Journal of pharmacy and pharmacology 20050301

Title: Induced fit process in the selective distal binding of imidazoles in zinc(II) porphyrin receptors.

Journal: Inorganic chemistry 20030616

Title: Heteroaromatic annulation of 2-methyl/2-cyanomethylbenzimidazole dianions with alpha-oxoketene dithioacetals: a highly regioselective synthetic protocol for 1,2- and 2,3-substituted/annulated pyrido[1,2-a]benzimidazoles.

Journal: The Journal of organic chemistry 20030502

Title: Preparation of highly substituted 4-aminopyridones via the reaction of 2-methylene dihydrobenzimidazole with vinyl isocyanates.

Journal: Organic letters 20030403

Title: Implication of P450-metabolite complex formation in the nonlinear pharmacokinetics and metabolic fate of (+/-)-(1'R*,3R*)-3-phenyl-1-[(1',2',3',4'-tetrahydro-5',6'-methylene-dioxy-1'-naphthalenyl) methyl] pyrrolidine methanesulfonate (ABT-200) in dogs.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20021001

Title: Synthesis and antiparasitic activity of 1H-benzimidazole derivatives.

Journal: Bioorganic & medicinal chemistry letters 20020819

Title: Formation of mu-oxo dimer by the reaction of (meso-tetraphenylporphyrinato)iron(III) with various imidazoles.

Journal: Journal of inorganic biochemistry 20010301

Title: Synthesis and preliminary antimicrobial screening of new benzimidazole heterocycles.

Journal: Archives of pharmacal research 20010201

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