BZC

2-(3'-METHOXYPHENYL) BENZIMIDAZOLE-4-CARBOXAMIDE

Created:	2000-02-16
Last modified:	2011-06-04

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1 entries where BZC is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	35
Aromatic Bond Count	17

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Chemical Component Summary
Name	2-(3'-METHOXYPHENYL) BENZIMIDAZOLE-4-CARBOXAMIDE
Systematic Name (OpenEye OEToolkits)	2-(3-methoxyphenyl)-1H-benzimidazole-4-carboxamide
Formula	C₁₅ H₁₃ N₃ O₂
Molecular Weight	267.283
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(c3cccc1c3nc(n1)c2cccc(OC)c2)N
SMILES	CACTVS	3.341	COc1cccc(c1)c2[nH]c3cccc(C(N)=O)c3n2
SMILES	OpenEye OEToolkits	1.5.0	COc1cccc(c1)c2[nH]c3cccc(c3n2)C(=O)N
Canonical SMILES	CACTVS	3.341	COc1cccc(c1)c2[nH]c3cccc(C(N)=O)c3n2
Canonical SMILES	OpenEye OEToolkits	1.5.0	COc1cccc(c1)c2[nH]c3cccc(c3n2)C(=O)N
InChI	InChI	1.03	InChI=1S/C15H13N3O2/c1-20-10-5-2-4-9(8-10)15-17-12-7-3-6-11(14(16)19)13(12)18-15/h2-8H,1H3,(H2,16,19)(H,17,18)
InChIKey	InChI	1.03	NVVWVYYHTKCIAE-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB04010
Name	2-(3'-Methoxyphenyl) Benzimidazole-4-Carboxamide
Groups	experimental
Synonyms	2-(3'-Methoxyphenyl) Benzimidazole-4-Carboxamide

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Poly [ADP-ribose] polymerase 1	MAESSDKLYRVEYAKSGRASCKKCSESIPKDSLRMAIMVQSPMFDGKVPH...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682