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Home Imidazoles 3097-21-0
3097-21-0,MFCD00224248
Catalog No.:AA0031P2

3097-21-0 | 1,3-Dimethyl-1,3-dihydro-2h-benzimidazol-2-one

Pack Size
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1g
98%
in stock  
$72.00   $50.00
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5g
98%
in stock  
$240.00   $168.00
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10g
98%
in stock  
$467.00   $327.00
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25g
98%
in stock  
$1,150.00   $805.00
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  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0031P2
Chemical Name:
1,3-Dimethyl-1,3-dihydro-2h-benzimidazol-2-one
CAS Number:
3097-21-0
Molecular Formula:
C9H10N2O
Molecular Weight:
162.1885
MDL Number:
MFCD00224248
SMILES:
O=c1n(C)c2c(n1C)cccc2
NSC Number:
27983
Properties
Computed Properties
 
Complexity:
185  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
XLogP3:
1.5  

Upstream Synthesis Route

[1]Patent:US2017/197920,2017,A1,.Locationinpatent:Paragraph1333-1334

[1]Patent:US2017/197920,2017,A1,.Locationinpatent:Paragraph1343-1344

Downstream Synthesis Route

[1]ZhurnalObshcheiKhimii,1957,vol.27,p.127,130;engl.Ausg.S.143,147

[1]ZhurnalObshcheiKhimii,1962,vol.32,p.1525,1527;engl.Ausg.S.1511,1512

[2]ZhurnalObshcheiKhimii,1957,vol.27,p.127,130;engl.Ausg.S.143,147

[1]ZhurnalObshcheiKhimii,1957,vol.27,p.127,130;engl.Ausg.S.143,147

[1]ChemischeBerichte,1958,vol.91,p.1432,1436

[1]JournalofHeterocyclicChemistry,1981,vol.18,p.85-89

[2]JournalofEnzymeInhibitionandMedicinalChemistry,2020,vol.35,p.330-343

[3]Patent:WO2007/70961,2007,A1.Locationinpatent:Page/Pagecolumn71

[4]Tetrahedron,2000,vol.56,p.9949-9955

[5]Patent:US5179115,1993,A

[6]Patent:CN110776494,2020,A.Locationinpatent:Paragraph0049;0055;0062-0063

[7]HelveticaChimicaActa,1994,vol.77,p.121-139

[8]Patent:EP462831,1996,B1

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: Toward prediction of alkane/water partition coefficients.

Journal: Journal of medicinal chemistry 20080710

Title: Theoretical and experimental design of atypical kinase inhibitors: application to p38 MAP kinase.

Journal: Journal of medicinal chemistry 20050908

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SDS
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