1-(4-methoxyphenyl)-2-phenylimidazole-4-carboxylic acid

C17H14N2O3 — CID 82212229

IUPAC1-(4-methoxyphenyl)-2-phenylimidazole-4-carboxylic acid
SMILESCOc1ccc(-n2cc(C(=O)O)nc2-c2ccccc2)cc1
InChIInChI=1S/C17H14N2O3/c1-22-14-9-7-13(8-10-14)19-11-15(17(20)21)18-16(19)12-5-3-2-4-6-12/h2-11H,1H3,(H,20,21)
InChIKeyVAFTUUCJKRTYNG-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.25
Rot. Bonds4

About 1-(4-methoxyphenyl)-2-phenylimidazole-4-carboxylic acid

1-(4-methoxyphenyl)-2-phenylimidazole-4-carboxylic acid (PubChem CID 82212229) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-phenylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-phenylimidazole-4-carboxylic acid
PubChem CID82212229
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name1-(4-methoxyphenyl)-2-phenylimidazole-4-carboxylic acid
SMILESCOc1ccc(-n2cc(C(=O)O)nc2-c2ccccc2)cc1
InChIInChI=1S/C17H14N2O3/c1-22-14-9-7-13(8-10-14)19-11-15(17(20)21)18-16(19)12-5-3-2-4-6-12/h2-11H,1H3,(H,20,21)
InChIKeyVAFTUUCJKRTYNG-UHFFFAOYSA-N
XLogP3.25
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-2-(3-methoxyphenyl)imidazole-4-carboxylic acid
CID 82212317
2-(3-methylphenyl)-1-phenylimidazole-4-carboxylic acid
CID 82212282
2-(3-methoxyphenyl)-1-(3-methylphenyl)imidazole-4-carboxylic acid
CID 94946721
1-(4-chlorophenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid
CID 94946709
N-ethyl-1,2-bis(4-methoxyphenyl)-N-methylimidazole-4-carboxamide
CID 69444871
1-[1-(4-methoxyphenyl)-2-methyl-4-phenylpyrrol-3-yl]ethanone
CID 45142068
1-[5-(4-methoxyphenyl)-1-methyl-2-phenylimidazol-4-yl]ethanone
CID 132512555
4-(2,4-dimethoxyphenyl)-1,2-diphenylimidazole
CID 71614056
1-(4-methoxyphenyl)triazole-4-carboxylic acid
CID 10513054
tert-butyl N-[2-[4-[4-acetyl-2-(4-methoxyphenyl)imidazol-1-yl]phenoxy]ethyl]carbamate
CID 142920134
N-cyclohexyl-1,2-diphenylimidazole-4-carboxamide
CID 22285498
1-(2,5-dimethylphenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid
CID 94946695

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-phenylimidazole-4-carboxylic acid?
The IUPAC name of 1-(4-methoxyphenyl)-2-phenylimidazole-4-carboxylic acid (CID 82212229) is 1-(4-methoxyphenyl)-2-phenylimidazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-phenylimidazole-4-carboxylic acid?
The canonical SMILES for 1-(4-methoxyphenyl)-2-phenylimidazole-4-carboxylic acid is COc1ccc(-n2cc(C(=O)O)nc2-c2ccccc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-phenylimidazole-4-carboxylic acid?
The InChIKey is VAFTUUCJKRTYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-22-14-9-7-13(8-10-14)19-11-15(17(20)21)18-16(19)12-5-3-2-4-6-12/h2-11H,1H3,(H,20,21).
What are the key properties of 1-(4-methoxyphenyl)-2-phenylimidazole-4-carboxylic acid?
1-(4-methoxyphenyl)-2-phenylimidazole-4-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-phenylimidazole-4-carboxylic acid is sourced from PubChem (CID 82212229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).