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

C13H14N2O2 — CID 83894198

IUPAC2-[1-(4-methylphenyl)imidazol-4-yl]propanoic acid
SMILESCc1ccc(-n2cnc(C(C)C(=O)O)c2)cc1
InChIInChI=1S/C13H14N2O2/c1-9-3-5-11(6-4-9)15-7-12(14-8-15)10(2)13(16)17/h3-8,10H,1-2H3,(H,16,17)
InChIKeyXWNYKYQCXLZSIU-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.37
Rot. Bonds3

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

2-[1-(4-methylphenyl)imidazol-4-yl]propanoic acid (PubChem CID 83894198) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)imidazol-4-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)imidazol-4-yl]propanoic acid
PubChem CID83894198
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-[1-(4-methylphenyl)imidazol-4-yl]propanoic acid
SMILESCc1ccc(-n2cnc(C(C)C(=O)O)c2)cc1
InChIInChI=1S/C13H14N2O2/c1-9-3-5-11(6-4-9)15-7-12(14-8-15)10(2)13(16)17/h3-8,10H,1-2H3,(H,16,17)
InChIKeyXWNYKYQCXLZSIU-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-methylphenyl)pyrazol-3-yl]propanoic acid
CID 175085264
2-amino-2-(1-phenylimidazol-4-yl)acetic acid
CID 83887444
2-[1-(1-oxo-1-phenylpropan-2-yl)imidazol-4-yl]propanoic acid
CID 91478709
4-bromo-1-(4-methylphenyl)imidazole
CID 66520738
2-(1-cyclopropylimidazol-4-yl)propanoic acid
CID 83875362
2-[5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]propanoic acid
CID 69435721
2-(1-cyclopentylimidazol-4-yl)propanoic acid
CID 83883845
2-methylpropanoic acid;1,4-xylene
CID 142846820
N-benzyl-1-(4-methylphenyl)imidazole-4-carboxamide
CID 100825109
2-(tetrazolo[1,5-b]pyridazin-6-yl)propanoic acid
CID 104571156
5-(aminomethyl)-1-(4-methylphenyl)pyrimidin-4-one
CID 115114513
2-[2-(4-methylphenoxy)-4-pyridinyl]propanoic acid
CID 12945002

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)imidazol-4-yl]propanoic acid?
The IUPAC name of 2-[1-(4-methylphenyl)imidazol-4-yl]propanoic acid (CID 83894198) is 2-[1-(4-methylphenyl)imidazol-4-yl]propanoic acid.
What is the SMILES notation for 2-[1-(4-methylphenyl)imidazol-4-yl]propanoic acid?
The canonical SMILES for 2-[1-(4-methylphenyl)imidazol-4-yl]propanoic acid is Cc1ccc(-n2cnc(C(C)C(=O)O)c2)cc1.
What is the InChIKey of 2-[1-(4-methylphenyl)imidazol-4-yl]propanoic acid?
The InChIKey is XWNYKYQCXLZSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-3-5-11(6-4-9)15-7-12(14-8-15)10(2)13(16)17/h3-8,10H,1-2H3,(H,16,17).
What are the key properties of 2-[1-(4-methylphenyl)imidazol-4-yl]propanoic acid?
2-[1-(4-methylphenyl)imidazol-4-yl]propanoic acid has a molecular weight of 230.27 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenyl)imidazol-4-yl]propanoic acid is sourced from PubChem (CID 83894198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).