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Home Other Building Blocks 1H-Benzimidazole-7-carboxamide

1H-Benzimidazole-7-carboxamide

CAS No.:
188106-81-2
Catalog Number:
AG002GOJ
Molecular Formula:
C8H7N3O
Molecular Weight:
161.1607
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Product Description
Catalog Number:
AG002GOJ
Chemical Name:
1H-Benzimidazole-7-carboxamide
CAS Number:
188106-81-2
Molecular Formula:
C8H7N3O
Molecular Weight:
161.1607
MDL Number:
MFCD18204827
IUPAC Name:
1H-benzimidazole-4-carboxamide
InChI:
InChI=1S/C8H7N3O/c9-8(12)5-2-1-3-6-7(5)11-4-10-6/h1-4H,(H2,9,12)(H,10,11)
InChI Key:
JJDMKDXGNVJWCD-UHFFFAOYSA-N
SMILES:
NC(=O)c1cccc2c1[nH]cn2
Properties
Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.059g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
161.164g/mol
Monoisotopic Mass:
161.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Literature
Title Journal
Discovery and SAR of 2-(1-propylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide: A potent inhibitor of poly(ADP-ribose) polymerase (PARP) for the treatment of cancer. Bioorganic & medicinal chemistry 20080715
Synthesis and SAR of novel, potent and orally bioavailable benzimidazole inhibitors of poly(ADP-ribose) polymerase (PARP) with a quaternary methylene-amino substituent. Bioorganic & medicinal chemistry letters 20080715
Properties