Chemical Components in the PDB

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2V8 : Summary

Code

2V8

One-letter code

X

Molecule name

1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-(3-methylphenyl)-1H-imidazole-4-carboxylic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-(3-methylphenyl)-1H-imidazole-4-carboxylic acid
OpenEye OEToolkits 1.7.6 1-(5-chloranyl-2-methyl-phenyl)-5-(3-chlorophenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid

Formula

C24 H18 Cl2 N2 O2

Formal charge

0

Molecular weight

437.318 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Clc4cccc(c3c(nc(c1cccc(c1)C)n3c2c(ccc(Cl)c2)C)C(=O)O)c4
SMILES CACTVS 3.385 Cc1cccc(c1)c2nc(C(O)=O)c(n2c3cc(Cl)ccc3C)c4cccc(Cl)c4
SMILES OpenEye OEToolkits 1.7.6 Cc1cccc(c1)c2nc(c(n2c3cc(ccc3C)Cl)c4cccc(c4)Cl)C(=O)O
Canonical SMILES CACTVS 3.385 Cc1cccc(c1)c2nc(C(O)=O)c(n2c3cc(Cl)ccc3C)c4cccc(Cl)c4
Canonical SMILES OpenEye OEToolkits 1.7.6 Cc1cccc(c1)c2nc(c(n2c3cc(ccc3C)Cl)c4cccc(c4)Cl)C(=O)O

IUPAC InChI

InChI=1S/C24H18Cl2N2O2/c1-14-5-3-7-17(11-14)23-27-21(24(29)30)22(16-6-4-8-18(25)12-16)28(23)20-13-19(26)10-9-15(20)2/h3-13H,1-2H3,(H,29,30)

IUPAC InChI key

UYJZPBBJELZWKZ-UHFFFAOYSA-N
2V8

wwPDB Information

Atom count

48 (30 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2014-02-21

Last modified at

2014-04-18

Status

Released

Obsoleted

Not Assigned