4GE

5-[BENZYL(METHYL)CARBAMOYL]-2-(3-CHLOROPHENYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID

Created:	2010-08-25
Last modified:	2011-06-04

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1 entries where 4GE is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	0
Bond Count	44
Aromatic Bond Count	18

2D diagram of 4GE

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Chemical Component Summary
Name	5-[BENZYL(METHYL)CARBAMOYL]-2-(3-CHLOROPHENYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID
Systematic Name (OpenEye OEToolkits)	2-(3-chlorophenyl)-5-(methyl-(phenylmethyl)carbamoyl)-1H-imidazole-4-carboxylic acid
Formula	C₁₉ H₁₆ Cl N₃ O₃
Molecular Weight	369.802
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc1cccc(c1)c2nc(c(n2)C(=O)N(Cc3ccccc3)C)C(=O)O
SMILES	CACTVS	3.352	CN(Cc1ccccc1)C(=O)c2[nH]c(nc2C(O)=O)c3cccc(Cl)c3
SMILES	OpenEye OEToolkits	1.6.1	CN(Cc1ccccc1)C(=O)c2c(nc([nH]2)c3cccc(c3)Cl)C(=O)O
Canonical SMILES	CACTVS	3.352	CN(Cc1ccccc1)C(=O)c2[nH]c(nc2C(O)=O)c3cccc(Cl)c3
Canonical SMILES	OpenEye OEToolkits	1.6.1	CN(Cc1ccccc1)C(=O)c2c(nc([nH]2)c3cccc(c3)Cl)C(=O)O
InChI	InChI	1.03	InChI=1S/C19H16ClN3O3/c1-23(11-12-6-3-2-4-7-12)18(24)15-16(19(25)26)22-17(21-15)13-8-5-9-14(20)10-13/h2-10H,11H2,1H3,(H,21,22)(H,25,26)
InChIKey	InChI	1.03	BSLQMHNPFUHRKP-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	49835941
ChEMBL	CHEMBL1230288

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.