1-(4-chlorophenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid

C17H13ClN2O2 — CID 94946709

IUPAC1-(4-chlorophenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid
SMILESCc1ccc(-c2nc(C(=O)O)cn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H13ClN2O2/c1-11-2-4-12(5-3-11)16-19-15(17(21)22)10-20(16)14-8-6-13(18)7-9-14/h2-10H,1H3,(H,21,22)
InChIKeyPBDMTARYDIUSIS-UHFFFAOYSA-N
MW312.76 g/mol
LogP4.20
Rot. Bonds3

About 1-(4-chlorophenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid

1-(4-chlorophenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid (PubChem CID 94946709) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid
PubChem CID94946709
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC Name1-(4-chlorophenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid
SMILESCc1ccc(-c2nc(C(=O)O)cn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H13ClN2O2/c1-11-2-4-12(5-3-11)16-19-15(17(21)22)10-20(16)14-8-6-13(18)7-9-14/h2-10H,1H3,(H,21,22)
InChIKeyPBDMTARYDIUSIS-UHFFFAOYSA-N
XLogP4.20
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-1-(2,4-dimethylphenyl)imidazole-4-carboxylic acid
CID 82212267
1-(4-chlorophenyl)-N-methyl-2-(4-methylsulfonylphenyl)imidazole-4-carboxamide
CID 54379362
1-(4-chlorophenyl)-2-(3-methoxyphenyl)imidazole-4-carboxylic acid
CID 82212317
1-(4-methoxyphenyl)-2-phenylimidazole-4-carboxylic acid
CID 82212229
2-(3-methylphenyl)-1-phenylimidazole-4-carboxylic acid
CID 82212282
1-(2,5-dimethylphenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid
CID 94946695
1-(4-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid
CID 82212271
5-(4-chlorophenyl)-6-(4-methylphenyl)pyrazine-2,3-dicarboxylic acid
CID 69141126
1-(4-chlorophenyl)-2-(2,4-dimethylphenyl)-N-morpholin-4-ylimidazole-4-carboxamide
CID 22285405
2-(4-chlorophenyl)-1,4-diphenylimidazole
CID 44632179
1-(4-methylphenyl)-2,4-diphenylimidazole
CID 10638706
5-chloro-1-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid
CID 13157207

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid?
The IUPAC name of 1-(4-chlorophenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid (CID 94946709) is 1-(4-chlorophenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid?
The canonical SMILES for 1-(4-chlorophenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid is Cc1ccc(-c2nc(C(=O)O)cn2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid?
The InChIKey is PBDMTARYDIUSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c1-11-2-4-12(5-3-11)16-19-15(17(21)22)10-20(16)14-8-6-13(18)7-9-14/h2-10H,1H3,(H,21,22).
What are the key properties of 1-(4-chlorophenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid?
1-(4-chlorophenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid has a molecular weight of 312.76 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 94946709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).