2-[4-(1-methylimidazol-2-yl)phenyl]propanoic acid

C13H14N2O2 — CID 117332408

IUPAC2-[4-(1-methylimidazol-2-yl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(-c2nccn2C)cc1
InChIInChI=1S/C13H14N2O2/c1-9(13(16)17)10-3-5-11(6-4-10)12-14-7-8-15(12)2/h3-9H,1-2H3,(H,16,17)
InChIKeyXMJBZZHJUFIBCU-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.28
Rot. Bonds3

About 2-[4-(1-methylimidazol-2-yl)phenyl]propanoic acid

2-[4-(1-methylimidazol-2-yl)phenyl]propanoic acid (PubChem CID 117332408) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-[4-(1-methylimidazol-2-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-(1-methylimidazol-2-yl)phenyl]propanoic acid
PubChem CID117332408
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-[4-(1-methylimidazol-2-yl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(-c2nccn2C)cc1
InChIInChI=1S/C13H14N2O2/c1-9(13(16)17)10-3-5-11(6-4-10)12-14-7-8-15(12)2/h3-9H,1-2H3,(H,16,17)
InChIKeyXMJBZZHJUFIBCU-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(1-methylimidazol-2-yl)phenyl]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

Related Compounds

2-hydroxy-2-[4-(1-methylimidazol-2-yl)phenyl]acetic acid
CID 117335940
1-methyl-2-[4-(1-methylimidazol-2-yl)phenyl]imidazole
CID 1088925
4-(1-methylimidazol-2-yl)benzoic acid
CID 23009409
1-methyl-2-[4-[4-(1-methylimidazol-2-yl)phenyl]phenyl]imidazole
CID 132575754
2-amino-3-[4-(1-methylimidazol-2-yl)phenyl]propanoic acid
CID 117365060
2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
ethane;1-methyl-2-phenylimidazole
CID 142155183
2-[4-(2,3-dimethyl-4-pyridinyl)phenyl]propanoic acid
CID 154512610
2-hydroxy-5-(1-methylimidazol-2-yl)benzoic acid
CID 136886155
5-(1-methylimidazol-2-yl)benzene-1,3-dicarboxylic acid
CID 68746117
2-(4-pyrimidin-4-ylphenyl)propanoic acid
CID 142788685
2-methoxy-4-(1-methylimidazol-2-yl)benzoic acid;hydrochloride
CID 172811429

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methylimidazol-2-yl)phenyl]propanoic acid?
The IUPAC name of 2-[4-(1-methylimidazol-2-yl)phenyl]propanoic acid (CID 117332408) is 2-[4-(1-methylimidazol-2-yl)phenyl]propanoic acid.
What is the SMILES notation for 2-[4-(1-methylimidazol-2-yl)phenyl]propanoic acid?
The canonical SMILES for 2-[4-(1-methylimidazol-2-yl)phenyl]propanoic acid is CC(C(=O)O)c1ccc(-c2nccn2C)cc1.
What is the InChIKey of 2-[4-(1-methylimidazol-2-yl)phenyl]propanoic acid?
The InChIKey is XMJBZZHJUFIBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9(13(16)17)10-3-5-11(6-4-10)12-14-7-8-15(12)2/h3-9H,1-2H3,(H,16,17).
What are the key properties of 2-[4-(1-methylimidazol-2-yl)phenyl]propanoic acid?
2-[4-(1-methylimidazol-2-yl)phenyl]propanoic acid has a molecular weight of 230.27 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methylimidazol-2-yl)phenyl]propanoic acid is sourced from PubChem (CID 117332408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).