2-(3-methylphenyl)-1-phenylimidazole-4-carboxylic acid

C17H14N2O2 — CID 82212282

IUPAC2-(3-methylphenyl)-1-phenylimidazole-4-carboxylic acid
SMILESCc1cccc(-c2nc(C(=O)O)cn2-c2ccccc2)c1
InChIInChI=1S/C17H14N2O2/c1-12-6-5-7-13(10-12)16-18-15(17(20)21)11-19(16)14-8-3-2-4-9-14/h2-11H,1H3,(H,20,21)
InChIKeyIYNOPIIMYHZHAY-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.55
Rot. Bonds3

About 2-(3-methylphenyl)-1-phenylimidazole-4-carboxylic acid

2-(3-methylphenyl)-1-phenylimidazole-4-carboxylic acid (PubChem CID 82212282) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-phenylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-phenylimidazole-4-carboxylic acid
PubChem CID82212282
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name2-(3-methylphenyl)-1-phenylimidazole-4-carboxylic acid
SMILESCc1cccc(-c2nc(C(=O)O)cn2-c2ccccc2)c1
InChIInChI=1S/C17H14N2O2/c1-12-6-5-7-13(10-12)16-18-15(17(20)21)11-19(16)14-8-3-2-4-9-14/h2-11H,1H3,(H,20,21)
InChIKeyIYNOPIIMYHZHAY-UHFFFAOYSA-N
XLogP3.55
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-1-(3-methylphenyl)imidazole-4-carboxylic acid
CID 94946721
2-(2-methylphenyl)-1-(3-methylphenyl)imidazole-4-carboxylic acid
CID 82212289
1-(4-methoxyphenyl)-2-phenylimidazole-4-carboxylic acid
CID 82212229
1-(4-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid
CID 82212271
1-(2-ethoxyphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid
CID 94946663
1-(4-chlorophenyl)-2-(3-methoxyphenyl)imidazole-4-carboxylic acid
CID 82212317
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
N-cyclohexyl-1,2-diphenylimidazole-4-carboxamide
CID 22285498
2-(4-chlorophenyl)-1-(2,4-dimethylphenyl)imidazole-4-carboxylic acid
CID 82212267
3,5-bis(3-methylphenyl)-4-phenyl-1,2,4-triazole
CID 58390339
1-(1-methyl-2H-pyridin-4-yl)-2-phenylimidazole-4-carboxylic acid
CID 142955129

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-phenylimidazole-4-carboxylic acid?
The IUPAC name of 2-(3-methylphenyl)-1-phenylimidazole-4-carboxylic acid (CID 82212282) is 2-(3-methylphenyl)-1-phenylimidazole-4-carboxylic acid.
What is the SMILES notation for 2-(3-methylphenyl)-1-phenylimidazole-4-carboxylic acid?
The canonical SMILES for 2-(3-methylphenyl)-1-phenylimidazole-4-carboxylic acid is Cc1cccc(-c2nc(C(=O)O)cn2-c2ccccc2)c1.
What is the InChIKey of 2-(3-methylphenyl)-1-phenylimidazole-4-carboxylic acid?
The InChIKey is IYNOPIIMYHZHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-12-6-5-7-13(10-12)16-18-15(17(20)21)11-19(16)14-8-3-2-4-9-14/h2-11H,1H3,(H,20,21).
What are the key properties of 2-(3-methylphenyl)-1-phenylimidazole-4-carboxylic acid?
2-(3-methylphenyl)-1-phenylimidazole-4-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1-phenylimidazole-4-carboxylic acid is sourced from PubChem (CID 82212282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).