4-(3,4-dimethoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid

C13H14N2O4 — CID 82302560

IUPAC4-(3,4-dimethoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid
SMILESCOc1ccc(-c2nc(C)[nH]c2C(=O)O)cc1OC
InChIInChI=1S/C13H14N2O4/c1-7-14-11(12(15-7)13(16)17)8-4-5-9(18-2)10(6-8)19-3/h4-6H,1-3H3,(H,14,15)(H,16,17)
InChIKeyHRBSODYBRSEBBI-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.10
Rot. Bonds4

About 4-(3,4-dimethoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid

4-(3,4-dimethoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid (PubChem CID 82302560) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid
PubChem CID82302560
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name4-(3,4-dimethoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid
SMILESCOc1ccc(-c2nc(C)[nH]c2C(=O)O)cc1OC
InChIInChI=1S/C13H14N2O4/c1-7-14-11(12(15-7)13(16)17)8-4-5-9(18-2)10(6-8)19-3/h4-6H,1-3H3,(H,14,15)(H,16,17)
InChIKeyHRBSODYBRSEBBI-UHFFFAOYSA-N
XLogP2.10
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(3,4-dimethoxyphenyl)-2-methyl-1H-imidazole-5-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

4-(5-bromo-2-methoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid
CID 82308864
4-(3,4-dimethoxyphenyl)-1H-imidazole-5-carboxylic acid
CID 82296194
4-amino-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 22905823
4-(3-bromophenyl)-2-methyl-1H-imidazole-5-carboxylic acid
CID 82307284
4-(1,3-benzodioxol-5-yl)-2-methyl-1H-imidazole-5-carboxylic acid
CID 82295008
4-(3,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid
CID 3434675
2-[4-(4-methoxy-3-methylphenyl)-2-methyl-1H-imidazol-5-yl]acetic acid
CID 82301560
4-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carboxylic acid
CID 82306772
2-methyl-4-(1-methyl-2-oxo-3H-indol-5-yl)-1H-imidazole-5-carboxylic acid
CID 82306063
4,5,10,11,16,17-hexakis(3,4-dimethoxyphenyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 101071642
5-(3,4-dimethoxyphenyl)-2-methyl-1H-imidazol-4-amine
CID 82475498
6-(3,4-dimethoxyphenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035666

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid (CID 82302560) is 4-(3,4-dimethoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid is COc1ccc(-c2nc(C)[nH]c2C(=O)O)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid?
The InChIKey is HRBSODYBRSEBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-7-14-11(12(15-7)13(16)17)8-4-5-9(18-2)10(6-8)19-3/h4-6H,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 4-(3,4-dimethoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid?
4-(3,4-dimethoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid has a molecular weight of 262.26 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 82302560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).