5-benzyl-5-phenylimidazolidine-2,4-dione

• ChemBase ID: 251088
• Molecular Formular: C16H14N2O2
• Molecular Mass: 266.29456
• Monoisotopic Mass: 266.1055277
• SMILES: N1C(=O)C(NC1=O)(Cc1ccccc1)c1ccccc1
• Canonical SMILES: O=C1NC(=O)C(N1)(Cc1ccccc1)c1ccccc1
• InChI: InChI=1S/C16H14N2O2/c19-14-16(18-15(20)17-14,13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,17,18,19,20)
• InChIKey: ITLQPKUEVLGNAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-benzyl-5-phenylimidazolidine-2,4-dione
• IUPAC Traditional name: 5-benzyl-5-phenylimidazolidine-2,4-dione
• Synonyms: 5-benzyl-5-phenylimidazolidine-2,4-dione

Database IDs

• CAS Number: 4927-43-9
• MDL Number: MFCD01124466
• PubChem SID: 164306998
• PubChem CID: 232319

CALCULATED PROPERTIES

• Acid pKa: 9.82026
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.5752807
• LogD (pH = 7.4): 2.573673
• Log P: 2.5753012
• Molar Refractivity: 74.7363 cm^3
• Polarizability: 28.969471 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 209 - 211°C
• Hydrophobicity(logP): 2.464

Product Information

• Purity: 95%