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

KCU

Summary

Name:	4-chloro-N-(2-phenyl-1H-benzimidazol-5-yl)-1-propyl-1H-pyrazole-5-carboxamide
Formula:	C20 H18 Cl N5 O
Formal charge:	0
Formula weight:	379.843 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-chloro-N-(2-phenyl-1H-benzimidazol-5-yl)-1-propyl-1H-pyrazole-5-carboxamide
OpenEye OEToolkits	2.0.7	4-chloranyl-~{N}-(2-phenyl-1~{H}-benzimidazol-5-yl)-2-propyl-pyrazole-3-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1cnn(CCC)c1C(=O)Nc1ccc2[NH]c(nc2c1)c1ccccc1
InChI	InChI	1.03	InChI=1S/C20H18ClN5O/c1-2-10-26-18(15(21)12-22-26)20(27)23-14-8-9-16-17(11-14)25-19(24-16)13-6-4-3-5-7-13/h3-9,11-12H,2,10H2,1H3,(H,23,27)(H,24,25)
InChIKey	InChI	1.03	NJHNXERHVAPHPG-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CCCn1ncc(Cl)c1C(=O)Nc2ccc3[nH]c(nc3c2)c4ccccc4
SMILES	CACTVS	3.385	CCCn1ncc(Cl)c1C(=O)Nc2ccc3[nH]c(nc3c2)c4ccccc4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CCCn1c(c(cn1)Cl)C(=O)Nc2ccc3c(c2)nc([nH]3)c4ccccc4
SMILES	OpenEye OEToolkits	2.0.7	CCCn1c(c(cn1)Cl)C(=O)Nc2ccc3c(c2)nc([nH]3)c4ccccc4

221716

PDB entries from 2024-06-26

PDB statistics

PDBj update info

Contact PDBj

numon