2-imidazol-1-yl-2-(4-methylphenyl)propanoic acid

C13H14N2O2 — CID 114990903

IUPAC2-imidazol-1-yl-2-(4-methylphenyl)propanoic acid
SMILESCc1ccc(C(C)(C(=O)O)n2ccnc2)cc1
InChIInChI=1S/C13H14N2O2/c1-10-3-5-11(6-4-10)13(2,12(16)17)15-8-7-14-9-15/h3-9H,1-2H3,(H,16,17)
InChIKeyHKVHMAZEXVITML-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.04
Rot. Bonds3

About 2-imidazol-1-yl-2-(4-methylphenyl)propanoic acid

2-imidazol-1-yl-2-(4-methylphenyl)propanoic acid (PubChem CID 114990903) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-imidazol-1-yl-2-(4-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-imidazol-1-yl-2-(4-methylphenyl)propanoic acid
PubChem CID114990903
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-imidazol-1-yl-2-(4-methylphenyl)propanoic acid
SMILESCc1ccc(C(C)(C(=O)O)n2ccnc2)cc1
InChIInChI=1S/C13H14N2O2/c1-10-3-5-11(6-4-10)13(2,12(16)17)15-8-7-14-9-15/h3-9H,1-2H3,(H,16,17)
InChIKeyHKVHMAZEXVITML-UHFFFAOYSA-N
XLogP2.04
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-imidazol-1-yl-2-(4-methylphenyl)propanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-2-(4-methylphenyl)propanoic acid?
The IUPAC name of 2-imidazol-1-yl-2-(4-methylphenyl)propanoic acid (CID 114990903) is 2-imidazol-1-yl-2-(4-methylphenyl)propanoic acid.
What is the SMILES notation for 2-imidazol-1-yl-2-(4-methylphenyl)propanoic acid?
The canonical SMILES for 2-imidazol-1-yl-2-(4-methylphenyl)propanoic acid is Cc1ccc(C(C)(C(=O)O)n2ccnc2)cc1.
What is the InChIKey of 2-imidazol-1-yl-2-(4-methylphenyl)propanoic acid?
The InChIKey is HKVHMAZEXVITML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-10-3-5-11(6-4-10)13(2,12(16)17)15-8-7-14-9-15/h3-9H,1-2H3,(H,16,17).
What are the key properties of 2-imidazol-1-yl-2-(4-methylphenyl)propanoic acid?
2-imidazol-1-yl-2-(4-methylphenyl)propanoic acid has a molecular weight of 230.27 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-2-(4-methylphenyl)propanoic acid is sourced from PubChem (CID 114990903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).