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Summary Geometry Related PDB entries

KWI

Summary

Name:	1-[(2-chlorophenyl)methyl]-3-methyl-N-(1-methyl-1,2,3,4-tetrazol-5-yl)-2-oxidanylidene-benzimidazole-4-carboxamide
Formula:	C18 H16 Cl N7 O2
Formal charge:	0
Formula weight:	397.818 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	1-[(2-chlorophenyl)methyl]-3-methyl-~{N}-(1-methyl-1,2,3,4-tetrazol-5-yl)-2-oxidanylidene-benzimidazole-4-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C18H16ClN7O2/c1-24-15-12(16(27)20-17-21-22-23-25(17)2)7-5-9-14(15)26(18(24)28)10-11-6-3-4-8-13(11)19/h3-9H,10H2,1-2H3,(H,20,21,23,27)
InChIKey	InChI	1.06	OPUWTTQBFQVNFW-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cn1nnnc1NC(=O)c2cccc3N(Cc4ccccc4Cl)C(=O)N(C)c23
SMILES	CACTVS	3.385	Cn1nnnc1NC(=O)c2cccc3N(Cc4ccccc4Cl)C(=O)N(C)c23
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cn1c(nnn1)NC(=O)c2cccc3c2N(C(=O)N3Cc4ccccc4Cl)C
SMILES	OpenEye OEToolkits	2.0.7	Cn1c(nnn1)NC(=O)c2cccc3c2N(C(=O)N3Cc4ccccc4Cl)C

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