5-(4-hydroxyphenyl)imidazolidine-2,4-dione

• ChemBase ID: 798563
• Molecular Formular: C9H8N2O3
• Molecular Mass: 192.17142
• Monoisotopic Mass: 192.05349213
• SMILES: N1C(=O)NC(=O)C1c1ccc(cc1)O
• Canonical SMILES: O=C1NC(=O)NC1c1ccc(cc1)O
• InChI: InChI=1S/C9H8N2O3/c12-6-3-1-5(2-4-6)7-8(13)11-9(14)10-7/h1-4,7,12H,(H2,10,11,13,14)
• InChIKey: UMTNMIARZPDSDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-hydroxyphenyl)imidazolidine-2,4-dione
• IUPAC Traditional name: 5-(4-hydroxyphenyl)imidazolidine-2,4-dione
• Synonyms: 5-(4-hydroxyphenyl)-2,4-imidazolidinedione

Database IDs

• CAS Number: 2420-17-9

CALCULATED PROPERTIES

• Acid pKa: 8.53002
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.18224284
• LogD (pH = 7.4): 0.15171267
• Log P: 0.18264362
• Molar Refractivity: 47.3849 cm^3
• Polarizability: 18.21482 Å^3
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%