3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-imidazole-4-carboxylic acid

C13H14N2O4 — CID 82485418

IUPAC3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-imidazole-4-carboxylic acid
SMILESCOc1ccc(CCn2c(C(=O)O)c[nH]c2=O)cc1
InChIInChI=1S/C13H14N2O4/c1-19-10-4-2-9(3-5-10)6-7-15-11(12(16)17)8-14-13(15)18/h2-5,8H,6-7H2,1H3,(H,14,18)(H,16,17)
InChIKeyUDGPIHRPUAWYEY-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.13
Rot. Bonds5

About 3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-imidazole-4-carboxylic acid

3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-imidazole-4-carboxylic acid (PubChem CID 82485418) has the molecular formula C13H14N2O4 and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-imidazole-4-carboxylic acid
PubChem CID82485418
Molecular FormulaC13H14N2O4
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Name3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-imidazole-4-carboxylic acid
SMILESCOc1ccc(CCn2c(C(=O)O)c[nH]c2=O)cc1
InChIInChI=1S/C13H14N2O4/c1-19-10-4-2-9(3-5-10)6-7-15-11(12(16)17)8-14-13(15)18/h2-5,8H,6-7H2,1H3,(H,14,18)(H,16,17)
InChIKeyUDGPIHRPUAWYEY-UHFFFAOYSA-N
XLogP1.13
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-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

4-[2-(4-methoxyphenyl)ethyl]-3-methyl-1H-1,2,4-triazol-5-one
CID 90979962
3-[2-(4-methoxyphenyl)ethyl]-4-methyl-1H-imidazole-2-thione
CID 81338069
5-acetyl-3-[2-(3-methoxyphenyl)ethyl]-1H-pyrimidine-2,4-dione
CID 107851475
3-(2,5-dimethoxyphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
CID 82486235
1-[2-(4-methoxyphenyl)ethyl]-2-methylindole
CID 65444625
4-[3-(4-methoxyphenyl)propyl]benzoic acid
CID 102282707
3-(furan-2-ylmethyl)-N-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025732
1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrazole-4-carboxylic acid
CID 65446393
1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79370835
3-bromo-1-[2-(4-methoxyphenyl)ethyl]pyridin-2-one
CID 114760943
5-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxylic acid
CID 174499523
(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 972679

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-imidazole-4-carboxylic acid?
The IUPAC name of 3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-imidazole-4-carboxylic acid (CID 82485418) is 3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-imidazole-4-carboxylic acid is COc1ccc(CCn2c(C(=O)O)c[nH]c2=O)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-imidazole-4-carboxylic acid?
The InChIKey is UDGPIHRPUAWYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-19-10-4-2-9(3-5-10)6-7-15-11(12(16)17)8-14-13(15)18/h2-5,8H,6-7H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-imidazole-4-carboxylic acid?
3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-imidazole-4-carboxylic acid has a molecular weight of 262.27 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 82485418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).