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Summary Geometry Related PDB entries

A1B8Z

Summary

Name:	(2M)-5-chloro-N-(2,3-dihydro-1H-isoindol-5-yl)-2-(1H-imidazol-1-yl)benzamide
Formula:	C18 H15 Cl N4 O
Formal charge:	0
Formula weight:	338.791 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	(2M)-5-chloro-N-(2,3-dihydro-1H-isoindol-5-yl)-2-(1H-imidazol-1-yl)benzamide
OpenEye OEToolkits	3.1.0.0	5-chloranyl-~{N}-(2,3-dihydro-1~{H}-isoindol-5-yl)-2-imidazol-1-yl-benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	Clc1cc(c(cc1)n1ccnc1)C(=O)Nc1cc2CNCc2cc1
InChI	InChI	1.06	InChI=1S/C18H15ClN4O/c19-14-2-4-17(23-6-5-20-11-23)16(8-14)18(24)22-15-3-1-12-9-21-10-13(12)7-15/h1-8,11,21H,9-10H2,(H,22,24)
InChIKey	InChI	1.06	KYVJOSVEUDQHNK-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Clc1ccc(n2ccnc2)c(c1)C(=O)Nc3ccc4CNCc4c3
SMILES	CACTVS	3.385	Clc1ccc(n2ccnc2)c(c1)C(=O)Nc3ccc4CNCc4c3
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	c1cc2c(cc1NC(=O)c3cc(ccc3n4ccnc4)Cl)CNC2
SMILES	OpenEye OEToolkits	3.1.0.0	c1cc2c(cc1NC(=O)c3cc(ccc3n4ccnc4)Cl)CNC2

250835

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