2V8

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

Created: 2014-02-21
Last modified:  2014-04-23

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Chemical Details

Formal Charge0
Atom Count48
Chiral Atom Count0
Bond Count51
Aromatic Bond Count23
2D diagram of 2V8
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Chemical Component Summary

Name1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-(3-methylphenyl)-1H-imidazole-4-carboxylic acid
Systematic Name (OpenEye OEToolkits)1-(5-chloranyl-2-methyl-phenyl)-5-(3-chlorophenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid
FormulaC24 H18 Cl2 N2 O2
Molecular Weight437.318
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01Clc4cccc(c3c(nc(c1cccc(c1)C)n3c2c(ccc(Cl)c2)C)C(=O)O)c4
SMILESCACTVS3.385Cc1cccc(c1)c2nc(C(O)=O)c(n2c3cc(Cl)ccc3C)c4cccc(Cl)c4
SMILESOpenEye OEToolkits1.7.6Cc1cccc(c1)c2nc(c(n2c3cc(ccc3C)Cl)c4cccc(c4)Cl)C(=O)O
Canonical SMILESCACTVS3.385 Cc1cccc(c1)c2nc(C(O)=O)c(n2c3cc(Cl)ccc3C)c4cccc(Cl)c4
Canonical SMILESOpenEye OEToolkits1.7.6 Cc1cccc(c1)c2nc(c(n2c3cc(ccc3C)Cl)c4cccc(c4)Cl)C(=O)O
InChIInChI1.03 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)
InChIKeyInChI1.03 UYJZPBBJELZWKZ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL3260812
PubChem 50996417
ChEMBL CHEMBL3260812