5,5-dibenzylimidazolidine-2,4-dione

• ChemBase ID: 251085
• Molecular Formular: C17H16N2O2
• Molecular Mass: 280.32114
• Monoisotopic Mass: 280.12117776
• SMILES: N1C(=O)NC(C1=O)(Cc1ccccc1)Cc1ccccc1
• Canonical SMILES: O=C1NC(=O)NC1(Cc1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C17H16N2O2/c20-15-17(19-16(21)18-15,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,18,19,20,21)
• InChIKey: RKEFYRGLENJHMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 23186-94-9
• MDL Number: MFCD00841868
• PubChem SID: 164306995
• PubChem CID: 234092

CALCULATED PROPERTIES

• Acid pKa: 10.178067
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.8639534
• LogD (pH = 7.4): 2.8632474
• Log P: 2.8639624
• Molar Refractivity: 79.4913 cm^3
• Polarizability: 30.815786 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 318 - 320°C
• Hydrophobicity(logP): 2.183

Product Information

• Purity: 95%