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

• ChemBase ID: 256343
• Molecular Formular: C16H14N2O2
• Molecular Mass: 266.29456
• Monoisotopic Mass: 266.1055277
• SMILES: N1(C(=O)NC(=O)C1c1ccccc1)Cc1ccccc1
• Canonical SMILES: O=C1NC(=O)C(N1Cc1ccccc1)c1ccccc1
• InChI: InChI=1S/C16H14N2O2/c19-15-14(13-9-5-2-6-10-13)18(16(20)17-15)11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,17,19,20)
• InChIKey: NDPPLBBWZCMPHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-5-phenylimidazolidine-2,4-dione
• IUPAC Traditional name: 1-benzyl-5-phenylimidazolidine-2,4-dione
• Synonyms: 1-benzyl-5-phenylimidazolidine-2,4-dione

Database IDs

• MDL Number: MFCD10686859
• PubChem SID: 164312253
• PubChem CID: 15353259

CALCULATED PROPERTIES

• Acid pKa: 9.829247
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.434338
• LogD (pH = 7.4): 2.432763
• Log P: 2.4343581
• Molar Refractivity: 74.9133 cm^3
• Polarizability: 28.968082 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.741

Product Information

• Purity: 95%