3-(3,4-dimethoxyphenyl)-2,5-dimethylimidazole-4-carboxylic acid

C14H16N2O4 — CID 95478982

IUPAC3-(3,4-dimethoxyphenyl)-2,5-dimethylimidazole-4-carboxylic acid
SMILESCOc1ccc(-n2c(C)nc(C)c2C(=O)O)cc1OC
InChIInChI=1S/C14H16N2O4/c1-8-13(14(17)18)16(9(2)15-8)10-5-6-11(19-3)12(7-10)20-4/h5-7H,1-4H3,(H,17,18)
InChIKeyNYXGXJHGTFQSER-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.20
Rot. Bonds4

About 3-(3,4-dimethoxyphenyl)-2,5-dimethylimidazole-4-carboxylic acid

3-(3,4-dimethoxyphenyl)-2,5-dimethylimidazole-4-carboxylic acid (PubChem CID 95478982) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-2,5-dimethylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-2,5-dimethylimidazole-4-carboxylic acid
PubChem CID95478982
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name3-(3,4-dimethoxyphenyl)-2,5-dimethylimidazole-4-carboxylic acid
SMILESCOc1ccc(-n2c(C)nc(C)c2C(=O)O)cc1OC
InChIInChI=1S/C14H16N2O4/c1-8-13(14(17)18)16(9(2)15-8)10-5-6-11(19-3)12(7-10)20-4/h5-7H,1-4H3,(H,17,18)
InChIKeyNYXGXJHGTFQSER-UHFFFAOYSA-N
XLogP2.20
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3,4-dimethoxyphenyl)-2,5-dimethylimidazole-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

3-(3-bromophenyl)-2,5-dimethylimidazole-4-carboxylic acid
CID 82308012
3-[(5-fluoro-2-methoxyphenyl)methyl]-2,5-dimethylimidazole-4-carboxylic acid
CID 95482065
diethyl 1-(3,4-dimethoxyphenyl)-3,4-dihydroxypyrrole-2,5-dicarboxylate
CID 71599027
1-(3,4-dimethoxyphenyl)-5-(2,2-diphenylacetyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 151650642
2,5-dimethyl-3-(2,4,6-trimethylphenyl)imidazole-4-carboxylic acid
CID 82300567
3-(2,5-dimethylphenyl)-2,5-dimethylimidazole-4-carboxylic acid
CID 82294279
1-(3,4-dimethoxyphenyl)-6-methyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one
CID 54291907
3-(2-ethylphenyl)-2,5-dimethylimidazole-4-carboxylic acid
CID 82294284
3-[3-methoxy-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-methylbenzimidazole-4-carboxylic acid
CID 67647218
4-(3,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid
CID 3434675
3-(3,4-dimethoxyphenyl)-2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 16538578
ethyl 1-(3,4-dimethoxyphenyl)-2,5-dimethylpyrrole-3-carboxylate
CID 658482

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-2,5-dimethylimidazole-4-carboxylic acid?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-2,5-dimethylimidazole-4-carboxylic acid (CID 95478982) is 3-(3,4-dimethoxyphenyl)-2,5-dimethylimidazole-4-carboxylic acid.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-2,5-dimethylimidazole-4-carboxylic acid?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-2,5-dimethylimidazole-4-carboxylic acid is COc1ccc(-n2c(C)nc(C)c2C(=O)O)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-2,5-dimethylimidazole-4-carboxylic acid?
The InChIKey is NYXGXJHGTFQSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-8-13(14(17)18)16(9(2)15-8)10-5-6-11(19-3)12(7-10)20-4/h5-7H,1-4H3,(H,17,18).
What are the key properties of 3-(3,4-dimethoxyphenyl)-2,5-dimethylimidazole-4-carboxylic acid?
3-(3,4-dimethoxyphenyl)-2,5-dimethylimidazole-4-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-2,5-dimethylimidazole-4-carboxylic acid is sourced from PubChem (CID 95478982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).