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Summary Geometry Related PDB entries

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Summary

Name:	(2M)-2-[2-(piperazin-1-yl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
Formula:	C21 H20 N6 O S
Formal charge:	0
Formula weight:	404.488 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(2M)-2-[2-(piperazin-1-yl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
OpenEye OEToolkits	2.0.7	2-(2-piperazin-1-ylphenyl)-~{N}-(1,3-thiazol-2-yl)-1~{H}-benzimidazole-4-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc1nccs1)c1cccc2[NH]c(nc12)c1ccccc1N1CCNCC1
InChI	InChI	1.06	InChI=1S/C21H20N6OS/c28-20(26-21-23-10-13-29-21)15-5-3-6-16-18(15)25-19(24-16)14-4-1-2-7-17(14)27-11-8-22-9-12-27/h1-7,10,13,22H,8-9,11-12H2,(H,24,25)(H,23,26,28)
InChIKey	InChI	1.06	IXJIKFKXRZPAPB-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	O=C(Nc1sccn1)c2cccc3[nH]c(nc23)c4ccccc4N5CCNCC5
SMILES	CACTVS	3.385	O=C(Nc1sccn1)c2cccc3[nH]c(nc23)c4ccccc4N5CCNCC5
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)c2[nH]c3cccc(c3n2)C(=O)Nc4nccs4)N5CCNCC5
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)c2[nH]c3cccc(c3n2)C(=O)Nc4nccs4)N5CCNCC5

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건을2024-07-17부터공개중

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