English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

A1BHP

Summary

Name:	(2M)-N-(4-methyl-1,3-thiazol-2-yl)-2-[2-(piperazin-1-yl)phenyl]-1H-1,3-benzimidazole-4-carboxamide
Formula:	C22 H22 N6 O S
Formal charge:	0
Formula weight:	418.515 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	(2M)-N-(4-methyl-1,3-thiazol-2-yl)-2-[2-(piperazin-1-yl)phenyl]-1H-1,3-benzimidazole-4-carboxamide
OpenEye OEToolkits	3.1.0.0	~{N}-(4-methyl-1,3-thiazol-2-yl)-2-(2-piperazin-1-ylphenyl)-1~{H}-benzimidazole-4-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	Cc1csc(NC(=O)c2cccc3[NH]c(nc32)c2ccccc2N2CCNCC2)n1
InChI	InChI	1.06	InChI=1S/C22H22N6OS/c1-14-13-30-22(24-14)27-21(29)16-6-4-7-17-19(16)26-20(25-17)15-5-2-3-8-18(15)28-11-9-23-10-12-28/h2-8,13,23H,9-12H2,1H3,(H,25,26)(H,24,27,29)
InChIKey	InChI	1.06	XFFHSVKASCGESU-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1csc(NC(=O)c2cccc3[nH]c(nc23)c4ccccc4N5CCNCC5)n1
SMILES	CACTVS	3.385	Cc1csc(NC(=O)c2cccc3[nH]c(nc23)c4ccccc4N5CCNCC5)n1
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	Cc1csc(n1)NC(=O)c2cccc3c2nc([nH]3)c4ccccc4N5CCNCC5
SMILES	OpenEye OEToolkits	3.1.0.0	Cc1csc(n1)NC(=O)c2cccc3c2nc([nH]3)c4ccccc4N5CCNCC5

248335

PDB entries from 2026-01-28

PDB statistics

PDBj update info

Contact PDBj

numon