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Summary Geometry Related PDB entries

A1A10

Summary

Name:	2-(2-amino-1H-1,3-benzimidazol-4-yl)-N-{4-[(pyridin-4-yl)methyl]phenyl}acetamide
Formula:	C21 H19 N5 O
Formal charge:	0
Formula weight:	357.408 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-(2-amino-1H-1,3-benzimidazol-4-yl)-N-{4-[(pyridin-4-yl)methyl]phenyl}acetamide
OpenEye OEToolkits	2.0.7	2-(2-azanyl-1~{H}-benzimidazol-4-yl)-~{N}-[4-(pyridin-4-ylmethyl)phenyl]ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc1ccc(Cc2ccncc2)cc1)Cc1cccc2[NH]c(N)nc12
InChI	InChI	1.06	InChI=1S/C21H19N5O/c22-21-25-18-3-1-2-16(20(18)26-21)13-19(27)24-17-6-4-14(5-7-17)12-15-8-10-23-11-9-15/h1-11H,12-13H2,(H,24,27)(H3,22,25,26)
InChIKey	InChI	1.06	AGVCSHCLKHPSSZ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Nc1[nH]c2cccc(CC(=O)Nc3ccc(Cc4ccncc4)cc3)c2n1
SMILES	CACTVS	3.385	Nc1[nH]c2cccc(CC(=O)Nc3ccc(Cc4ccncc4)cc3)c2n1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(c2c(c1)[nH]c(n2)N)CC(=O)Nc3ccc(cc3)Cc4ccncc4
SMILES	OpenEye OEToolkits	2.0.7	c1cc(c2c(c1)[nH]c(n2)N)CC(=O)Nc3ccc(cc3)Cc4ccncc4

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