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66631-29-6,MFCD00443919
Catalog No.:AA00FCW9

66631-29-6 | 4-(1H-Benzo[d]imidazol-2-yl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
90%
in stock  
$150.00   $105.00
- +
250mg
90%
in stock  
$279.00   $195.00
- +
1g
90%
in stock  
$579.00   $405.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00FCW9
Chemical Name:
4-(1H-Benzo[d]imidazol-2-yl)benzoic acid
CAS Number:
66631-29-6
Molecular Formula:
C14H10N2O2
Molecular Weight:
238.2414
MDL Number:
MFCD00443919
SMILES:
OC(=O)c1ccc(cc1)c1nc2c([nH]1)cccc2
Properties
Properties
 
Storage:
Room Temperature;Keep in dry area;  

Computed Properties
 
Complexity:
313  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.8  

Downstream Synthesis Route

[1]Senapak,Warapong;Saeeng,Rungnapha;Jaratjaroonphong,Jaray;Promarak,Vinich;Sirion,Uthaiwan[Tetrahedron,2019,vol.75,#26,p.3543-3552]

[2]Kasprzak,Artur;Bystrzejewski,Michał;Poplawska,Magdalena[DaltonTransactions,2018,vol.47,#18,p.6314-6322]

[3]Yadav,Priyanka;Kakati,Praachi;Singh,Preeti;Awasthi,SatishK.[AppliedCatalysisA:General,2021,vol.612]

[4]Digwal,ChanderSingh;Yadav,Upasana;Sakla,AkashP.;SriRamya;Aaghaz,Shams;Kamal,Ahmed[TetrahedronLetters,2016,vol.57,#36,p.4012-4016]

[5]Xu,Yong-Jiang;Miao,Hua-Quan;Pan,Weitao;Navarro,ElizabethC.;Tonra,JamesR.;Mitelman,Stan;Camara,M.Margarita;Deevi,DhanvanthriS.;Kiselyov,AlexanderS.;Kussie,Paul;Wong,WaiC.;Liu,Hu[BioorganicandMedicinalChemistryLetters,2006,vol.16,#2,p.404-408]

[6]CurrentPatentAssignee:HANHAIXINTUOHANGZHOUBIOMEDICAL-CN111793066,2020,ALocationinpatent:Paragraph0402-0405

[7]CurrentPatentAssignee:ELILILLY&CO-WO2005/30206,2005,A1Locationinpatent:Page/Pagecolumn64

[8]Simonis[ChemischeBerichte,1912,vol.45,p.1586]

[9]Sun,Qun;Yan,Bing[BioorganicandMedicinalChemistryLetters,1998,vol.8,#4,p.361-364]

[10]Pan,Weitao;Miao,Hua-Quan;Xu,Yong-Jiang;Navarro,ElizabethC.;Tonra,JamesR.;Corcoran,Erik;Lahiji,Armin;Kussie,Paul;Kiselyov,AlexanderS.;Wong,WaiC.;Liu,Hu[BioorganicandMedicinalChemistryLetters,2006,vol.16,#2,p.409-412]

[11]Locationinpatent:experimentalpartKus,Canan;Soezuedoenmez,Fatma;Altanlar,Nurten[ArchivderPharmazie,2009,vol.342,#1,p.54-60]

19056-41-8    66631-29-6   
4-(1<i>H</i>-benzoimidazol-2-yl)-<i>N</i>-(3-bromo-4-methoxy-phenyl)-benzamide 

[1]BioorganicandMedicinalChemistryLetters,2006,vol.16,p.404-408

2963-77-1    66631-29-6   
9,4-(1H-benzoimidazol-2-yl)-N-4-(1H-benzoimidazol-2-yl)-phenyl-benzamide 

[1]Patent:WO2005/30206,2005,A1.Locationinpatent:Page/Pagecolumn64

Literature

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

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: 4-(1H-Benzimidazol-3-ium-2-yl)benzoate dihydrate.

Journal: Acta crystallographica. Section C, Crystal structure communications 20010201

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SDS
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Tags:66631-29-6 Molecular Formula|66631-29-6 MDL|66631-29-6 SMILES|66631-29-6 4-(1H-Benzo[d]imidazol-2-yl)benzoic acid
Catalog No.: AA00FCW9
66631-29-6,MFCD00443919
66631-29-6 | 4-(1H-Benzo[d]imidazol-2-yl)benzoic acid
Pack Size： 100mg
Purity： 90%
in stock
$150.00 $105.00
Pack Size： 250mg
Purity： 90%
in stock
$279.00 $195.00
Pack Size： 1g
Purity： 90%
in stock
$579.00 $405.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00FCW9
Chemical Name: 4-(1H-Benzo[d]imidazol-2-yl)benzoic acid
CAS Number: 66631-29-6
Molecular Formula: C14H10N2O2
Molecular Weight: 238.2414
MDL Number: MFCD00443919
SMILES: OC(=O)c1ccc(cc1)c1nc2c([nH]1)cccc2
Properties
Storage: Room Temperature;Keep in dry area;  
Complexity: 313  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 18  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.8  
Downstream Synthesis Route
619-66-9    95-54-5    66631-29-6 

[1]Senapak,Warapong;Saeeng,Rungnapha;Jaratjaroonphong,Jaray;Promarak,Vinich;Sirion,Uthaiwan[Tetrahedron,2019,vol.75,#26,p.3543-3552]

[2]Kasprzak,Artur;Bystrzejewski,Michał;Poplawska,Magdalena[DaltonTransactions,2018,vol.47,#18,p.6314-6322]

[3]Yadav,Priyanka;Kakati,Praachi;Singh,Preeti;Awasthi,SatishK.[AppliedCatalysisA:General,2021,vol.612]

[4]Digwal,ChanderSingh;Yadav,Upasana;Sakla,AkashP.;SriRamya;Aaghaz,Shams;Kamal,Ahmed[TetrahedronLetters,2016,vol.57,#36,p.4012-4016]

[5]Xu,Yong-Jiang;Miao,Hua-Quan;Pan,Weitao;Navarro,ElizabethC.;Tonra,JamesR.;Mitelman,Stan;Camara,M.Margarita;Deevi,DhanvanthriS.;Kiselyov,AlexanderS.;Kussie,Paul;Wong,WaiC.;Liu,Hu[BioorganicandMedicinalChemistryLetters,2006,vol.16,#2,p.404-408]

[6]CurrentPatentAssignee:HANHAIXINTUOHANGZHOUBIOMEDICAL-CN111793066,2020,ALocationinpatent:Paragraph0402-0405

[7]CurrentPatentAssignee:ELILILLY&CO-WO2005/30206,2005,A1Locationinpatent:Page/Pagecolumn64

[8]Simonis[ChemischeBerichte,1912,vol.45,p.1586]

[9]Sun,Qun;Yan,Bing[BioorganicandMedicinalChemistryLetters,1998,vol.8,#4,p.361-364]

[10]Pan,Weitao;Miao,Hua-Quan;Xu,Yong-Jiang;Navarro,ElizabethC.;Tonra,JamesR.;Corcoran,Erik;Lahiji,Armin;Kussie,Paul;Kiselyov,AlexanderS.;Wong,WaiC.;Liu,Hu[BioorganicandMedicinalChemistryLetters,2006,vol.16,#2,p.409-412]

[11]Locationinpatent:experimentalpartKus,Canan;Soezuedoenmez,Fatma;Altanlar,Nurten[ArchivderPharmazie,2009,vol.342,#1,p.54-60]

19056-41-8    66631-29-6   
4-(1<i>H</i>-benzoimidazol-2-yl)-<i>N</i>-(3-bromo-4-methoxy-phenyl)-benzamide 

[1]BioorganicandMedicinalChemistryLetters,2006,vol.16,p.404-408

2963-77-1    66631-29-6   
9,4-(1H-benzoimidazol-2-yl)-N-4-(1H-benzoimidazol-2-yl)-phenyl-benzamide 

[1]Patent:WO2005/30206,2005,A1.Locationinpatent:Page/Pagecolumn64

Literature fold

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

Journal: Bioorganic & medicinal chemistry letters20101101

Title: 4-(1H-Benzimidazol-3-ium-2-yl)benzoate dihydrate.

Journal: Acta crystallographica. Section C, Crystal structure communications20010201

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