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72470-44-1 | 1H-Benzimidazole-4-carboxamide, 2-phenyl-
CAS No: 72470-44-1 Catalog No: AG005TAE MDL No:
Product Description
Catalog Number:
AG005TAE
Chemical Name:
1H-Benzimidazole-4-carboxamide, 2-phenyl-
CAS Number:
72470-44-1
Molecular Formula:
C14H11N3O
Molecular Weight:
237.2566
IUPAC Name:
2-phenyl-1H-benzimidazole-4-carboxamide
InChI:
InChI=1S/C14H11N3O/c15-13(18)10-7-4-8-11-12(10)17-14(16-11)9-5-2-1-3-6-9/h1-8H,(H2,15,18)(H,16,17)
InChI Key:
OBBJGEVEIULNEO-UHFFFAOYSA-N
SMILES:
NC(=O)c1cccc2c1nc([nH]2)c1ccccc1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.262g/mol
Monoisotopic Mass:
237.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Optimization of phenyl-substituted benzimidazole carboxamide poly(ADP-ribose) polymerase inhibitors: identification of (S)-2-(2-fluoro-4-(pyrrolidin-2-yl)phenyl)-1H-benzimidazole-4-carboxamide (A-966492), a highly potent and efficacious inhibitor. | Journal of medicinal chemistry 20100422 |
| 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 |
| Potentiation of cytotoxic drug activity in human tumour cell lines, by amine-substituted 2-arylbenzimidazole-4-carboxamide PARP-1 inhibitors. | Bioorganic & medicinal chemistry letters 20040517 |
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