2-(4-chlorophenyl)-1-(2,4-dimethylphenyl)imidazole-4-carboxylic acid

C18H15ClN2O2 — CID 82212267

IUPAC2-(4-chlorophenyl)-1-(2,4-dimethylphenyl)imidazole-4-carboxylic acid
SMILESCc1ccc(-n2cc(C(=O)O)nc2-c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C18H15ClN2O2/c1-11-3-8-16(12(2)9-11)21-10-15(18(22)23)20-17(21)13-4-6-14(19)7-5-13/h3-10H,1-2H3,(H,22,23)
InChIKeyRINSACLFQJRVJB-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.51
Rot. Bonds3

About 2-(4-chlorophenyl)-1-(2,4-dimethylphenyl)imidazole-4-carboxylic acid

2-(4-chlorophenyl)-1-(2,4-dimethylphenyl)imidazole-4-carboxylic acid (PubChem CID 82212267) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(2,4-dimethylphenyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(2,4-dimethylphenyl)imidazole-4-carboxylic acid
PubChem CID82212267
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name2-(4-chlorophenyl)-1-(2,4-dimethylphenyl)imidazole-4-carboxylic acid
SMILESCc1ccc(-n2cc(C(=O)O)nc2-c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C18H15ClN2O2/c1-11-3-8-16(12(2)9-11)21-10-15(18(22)23)20-17(21)13-4-6-14(19)7-5-13/h3-10H,1-2H3,(H,22,23)
InChIKeyRINSACLFQJRVJB-UHFFFAOYSA-N
XLogP4.51
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid
CID 82212271
1-(4-chlorophenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid
CID 94946709
1-(2,5-dimethylphenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid
CID 94946695
2-(3-methylphenyl)-1-phenylimidazole-4-carboxylic acid
CID 82212282
1-(4-chlorophenyl)-2-(3-methoxyphenyl)imidazole-4-carboxylic acid
CID 82212317
5-(4-chlorophenyl)-6-(4-methylphenyl)pyrazine-2,3-dicarboxylic acid
CID 69141126
1-(4-chlorophenyl)-N-methyl-2-(4-methylsulfonylphenyl)imidazole-4-carboxamide
CID 54379362
1-(2-ethoxyphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid
CID 94946663
1-(4-chlorophenyl)-2-(2,4-dimethylphenyl)-N-morpholin-4-ylimidazole-4-carboxamide
CID 22285405
5-(4-chlorophenyl)-1-(2,4-dimethylphenyl)-3-methylpyrazole-4-carboxylate
CID 7144432
4-chloro-1-(2-fluoro-4-methylphenyl)pyrrole-2-carboxylic acid
CID 114603655
3-(4-chloro-2-methylphenyl)-5-methylimidazole-4-carboxylic acid
CID 82480999

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(2,4-dimethylphenyl)imidazole-4-carboxylic acid?
The IUPAC name of 2-(4-chlorophenyl)-1-(2,4-dimethylphenyl)imidazole-4-carboxylic acid (CID 82212267) is 2-(4-chlorophenyl)-1-(2,4-dimethylphenyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(2,4-dimethylphenyl)imidazole-4-carboxylic acid?
The canonical SMILES for 2-(4-chlorophenyl)-1-(2,4-dimethylphenyl)imidazole-4-carboxylic acid is Cc1ccc(-n2cc(C(=O)O)nc2-c2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(2,4-dimethylphenyl)imidazole-4-carboxylic acid?
The InChIKey is RINSACLFQJRVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-11-3-8-16(12(2)9-11)21-10-15(18(22)23)20-17(21)13-4-6-14(19)7-5-13/h3-10H,1-2H3,(H,22,23).
What are the key properties of 2-(4-chlorophenyl)-1-(2,4-dimethylphenyl)imidazole-4-carboxylic acid?
2-(4-chlorophenyl)-1-(2,4-dimethylphenyl)imidazole-4-carboxylic acid has a molecular weight of 326.78 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(2,4-dimethylphenyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 82212267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).