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Summary

Name:	3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL-1H-BENZIMIDAZOL-2-YL]-4-[(PYRIDIN-2-YLMETHYL)AMINO]PYRIDIN-2(1H)-ONE
Formula:	C22 H19 N7 O
Formal charge:	0
Formula weight:	397.433 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	3-[5-(1H-imidazol-1-yl)-7-methyl-1H-benzimidazol-2-yl]-4-[(pyridin-2-ylmethyl)amino]pyridin-2(1H)-one
OpenEye OEToolkits	1.5.0	3-(5-imidazol-1-yl-7-methyl-1H-benzimidazol-2-yl)-4-(pyridin-2-ylmethylamino)-1H-pyridin-2-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C2NC=CC(NCc1ncccc1)=C2c5nc3c(c(cc(c3)n4ccnc4)C)n5
SMILES_CANONICAL	CACTVS	3.341	Cc1cc(cc2nc([nH]c12)C3=C(NCc4ccccn4)C=CNC3=O)n5ccnc5
SMILES	CACTVS	3.341	Cc1cc(cc2nc([nH]c12)C3=C(NCc4ccccn4)C=CNC3=O)n5ccnc5
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	Cc1cc(cc2c1[nH]c(n2)C3=C(C=CNC3=O)NCc4ccccn4)n5ccnc5
SMILES	OpenEye OEToolkits	1.5.0	Cc1cc(cc2c1[nH]c(n2)C3=C(C=CNC3=O)NCc4ccccn4)n5ccnc5
InChI	InChI	1.03	InChI=1S/C22H19N7O/c1-14-10-16(29-9-8-23-13-29)11-18-20(14)28-21(27-18)19-17(5-7-25-22(19)30)26-12-15-4-2-3-6-24-15/h2-11,13H,12H2,1H3,(H,27,28)(H2,25,26,30)
InChIKey	InChI	1.03	GLTRPHMPCVLOJS-UHFFFAOYSA-N

248636

PDB entries from 2026-02-04

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