3-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]propanoic acid

C14H14N2O4 — CID 12536190

IUPAC3-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]propanoic acid
SMILESCC1=N/C(=C\c2ccc(O)cc2)C(=O)N1CCC(=O)O
InChIInChI=1S/C14H14N2O4/c1-9-15-12(8-10-2-4-11(17)5-3-10)14(20)16(9)7-6-13(18)19/h2-5,8,17H,6-7H2,1H3,(H,18,19)/b12-8-
InChIKeyXPXCUCJCZQLIBX-WQLSENKSSA-N
MW274.28 g/mol
LogP1.47
Rot. Bonds4

About 3-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]propanoic acid

3-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]propanoic acid (PubChem CID 12536190) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 3-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]propanoic acid
PubChem CID12536190
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name3-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]propanoic acid
SMILESCC1=N/C(=C\c2ccc(O)cc2)C(=O)N1CCC(=O)O
InChIInChI=1S/C14H14N2O4/c1-9-15-12(8-10-2-4-11(17)5-3-10)14(20)16(9)7-6-13(18)19/h2-5,8,17H,6-7H2,1H3,(H,18,19)/b12-8-
InChIKeyXPXCUCJCZQLIBX-WQLSENKSSA-N
XLogP1.47
TPSA90.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]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 3-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]propanoic acid?
The IUPAC name of 3-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]propanoic acid (CID 12536190) is 3-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]propanoic acid?
The canonical SMILES for 3-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]propanoic acid is CC1=N/C(=C\c2ccc(O)cc2)C(=O)N1CCC(=O)O.
What is the InChIKey of 3-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]propanoic acid?
The InChIKey is XPXCUCJCZQLIBX-WQLSENKSSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-9-15-12(8-10-2-4-11(17)5-3-10)14(20)16(9)7-6-13(18)19/h2-5,8,17H,6-7H2,1H3,(H,18,19)/b12-8-.
What are the key properties of 3-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]propanoic acid?
3-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]propanoic acid has a molecular weight of 274.28 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]propanoic acid is sourced from PubChem (CID 12536190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).