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42754-40-5 | 1H-Benzimidazole-1-carboxamide(9CI)
CAS No: 42754-40-5 Catalog No: AG00CWNX MDL No:
Product Description
Catalog Number:
AG00CWNX
Chemical Name:
1H-Benzimidazole-1-carboxamide(9CI)
CAS Number:
42754-40-5
IUPAC Name:
benzimidazole-1-carboxamide
InChI:
InChI=1S/C8H7N3O/c9-8(12)11-5-10-6-3-1-2-4-7(6)11/h1-5H,(H2,9,12)
InChI Key:
JZRIIAYLOPWOHN-UHFFFAOYSA-N
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:
1
Isotope Atom Count:
0
Molecular Weight:
161.164g/mol
Monoisotopic Mass:
161.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Molecular modeling studies on benzimidazole carboxamide derivatives as PARP-1 inhibitors using 3D-QSAR and docking. | Chemical biology & drug design 20110901 |
| 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 |
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