2-(3-methoxyphenyl)-1-(3-methylphenyl)imidazole-4-carboxylic acid

C18H16N2O3 — CID 94946721

IUPAC2-(3-methoxyphenyl)-1-(3-methylphenyl)imidazole-4-carboxylic acid
SMILESCOc1cccc(-c2nc(C(=O)O)cn2-c2cccc(C)c2)c1
InChIInChI=1S/C18H16N2O3/c1-12-5-3-7-14(9-12)20-11-16(18(21)22)19-17(20)13-6-4-8-15(10-13)23-2/h3-11H,1-2H3,(H,21,22)
InChIKeyDPKGVWVIHJGPCE-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.55
Rot. Bonds4

About 2-(3-methoxyphenyl)-1-(3-methylphenyl)imidazole-4-carboxylic acid

2-(3-methoxyphenyl)-1-(3-methylphenyl)imidazole-4-carboxylic acid (PubChem CID 94946721) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-(3-methylphenyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-(3-methylphenyl)imidazole-4-carboxylic acid
PubChem CID94946721
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name2-(3-methoxyphenyl)-1-(3-methylphenyl)imidazole-4-carboxylic acid
SMILESCOc1cccc(-c2nc(C(=O)O)cn2-c2cccc(C)c2)c1
InChIInChI=1S/C18H16N2O3/c1-12-5-3-7-14(9-12)20-11-16(18(21)22)19-17(20)13-6-4-8-15(10-13)23-2/h3-11H,1-2H3,(H,21,22)
InChIKeyDPKGVWVIHJGPCE-UHFFFAOYSA-N
XLogP3.55
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-methoxyphenyl)-1-(3-methylphenyl)imidazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-2-(3-methoxyphenyl)imidazole-4-carboxylic acid
CID 82212317
2-(3-methylphenyl)-1-phenylimidazole-4-carboxylic acid
CID 82212282
1-(4-methoxyphenyl)-2-phenylimidazole-4-carboxylic acid
CID 82212229
2-(2-methylphenyl)-1-(3-methylphenyl)imidazole-4-carboxylic acid
CID 82212289
1-(4-chlorophenyl)-N-cyclohexyl-2-(3-methoxyphenyl)imidazole-4-carboxamide
CID 174473521
1-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)imidazole-4-carboxamide
CID 174460554
2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid
CID 98018913
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
2-(3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 82530233
4-(3-methoxyphenyl)-1-(3-methylphenyl)triazole
CID 20977584
3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxylate
CID 6946121

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-(3-methylphenyl)imidazole-4-carboxylic acid?
The IUPAC name of 2-(3-methoxyphenyl)-1-(3-methylphenyl)imidazole-4-carboxylic acid (CID 94946721) is 2-(3-methoxyphenyl)-1-(3-methylphenyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-(3-methylphenyl)imidazole-4-carboxylic acid?
The canonical SMILES for 2-(3-methoxyphenyl)-1-(3-methylphenyl)imidazole-4-carboxylic acid is COc1cccc(-c2nc(C(=O)O)cn2-c2cccc(C)c2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-(3-methylphenyl)imidazole-4-carboxylic acid?
The InChIKey is DPKGVWVIHJGPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12-5-3-7-14(9-12)20-11-16(18(21)22)19-17(20)13-6-4-8-15(10-13)23-2/h3-11H,1-2H3,(H,21,22).
What are the key properties of 2-(3-methoxyphenyl)-1-(3-methylphenyl)imidazole-4-carboxylic acid?
2-(3-methoxyphenyl)-1-(3-methylphenyl)imidazole-4-carboxylic acid has a molecular weight of 308.34 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-(3-methylphenyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 94946721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).