1-benzylimidazolidine-2,4-dione

• ChemBase ID: 294016
• Molecular Formular: C10H10N2O2
• Molecular Mass: 190.1986
• Monoisotopic Mass: 190.07422757
• SMILES: O=C1NC(=O)CN1Cc1ccccc1
• Canonical SMILES: O=C1NC(=O)CN1Cc1ccccc1
• InChI: InChI=1S/C10H10N2O2/c13-9-7-12(10(14)11-9)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,13,14)
• InChIKey: VJUNTPRQTFDQMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzylimidazolidine-2,4-dione
• IUPAC Traditional name: N-benzyl-2,4-imidazolidione
• Synonyms: 1-Benzylimidazolidine-2,4-dione; n-benzylhydantoin

Database IDs

• CAS Number: 6777-05-5; 1781414
• MDL Number: MFCD00466790
• PubChem SID: 180679547
• PubChem CID: 2735485

CALCULATED PROPERTIES

• Acid pKa: 8.92512
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.49776742
• LogD (pH = 7.4): 0.4853044
• Log P: 0.4979287
• Molar Refractivity: 50.5554 cm^3
• Polarizability: 19.397413 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%