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

YVB

Summary

Name:	(2P)-2-{3-[(2-amino-4,5-dimethylphenyl)carbamoyl]phenyl}-1H-benzimidazole-4-carboxamide
Formula:	C23 H21 N5 O2
Formal charge:	0
Formula weight:	399.445 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(2P)-2-{3-[(2-amino-4,5-dimethylphenyl)carbamoyl]phenyl}-1H-benzimidazole-4-carboxamide
OpenEye OEToolkits	2.0.7	2-[3-[(2-azanyl-4,5-dimethyl-phenyl)carbamoyl]phenyl]-1~{H}-benzimidazole-4-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1cc(NC(=O)c2cccc(c2)c2nc3c(cccc3[NH]2)C(N)=O)c(N)cc1C
InChI	InChI	1.06	InChI=1S/C23H21N5O2/c1-12-9-17(24)19(10-13(12)2)27-23(30)15-6-3-5-14(11-15)22-26-18-8-4-7-16(21(25)29)20(18)28-22/h3-11H,24H2,1-2H3,(H2,25,29)(H,26,28)(H,27,30)
InChIKey	InChI	1.06	HJDGBHNQHCFQSJ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1cc(N)c(NC(=O)c2cccc(c2)c3[nH]c4cccc(C(N)=O)c4n3)cc1C
SMILES	CACTVS	3.385	Cc1cc(N)c(NC(=O)c2cccc(c2)c3[nH]c4cccc(C(N)=O)c4n3)cc1C
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cc(c(cc1C)NC(=O)c2cccc(c2)c3[nH]c4cccc(c4n3)C(=O)N)N
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(c(cc1C)NC(=O)c2cccc(c2)c3[nH]c4cccc(c4n3)C(=O)N)N

223532

PDB entries from 2024-08-07

PDB statistics

PDBj update info

Contact PDBj

numon