(5Z)-5-(2-phenylethylidene)imidazolidine-2,4-dione

• ChemBase ID: 256053
• Molecular Formular: C11H10N2O2
• Molecular Mass: 202.2093
• Monoisotopic Mass: 202.07422757
• SMILES: N1C(=O)N/C(=C\Cc2ccccc2)/C1=O
• Canonical SMILES: O=C1NC(=O)N/C/1=C\Cc1ccccc1
• InChI: InChI=1S/C11H10N2O2/c14-10-9(12-11(15)13-10)7-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,12,13,14,15)/b9-7-
• InChIKey: OGOXNNGHEXFLIN-CLFYSBASSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5Z)-5-(2-phenylethylidene)imidazolidine-2,4-dione
• IUPAC Traditional name: (5Z)-5-(2-phenylethylidene)imidazolidine-2,4-dione
• Synonyms: (5Z)-5-(2-phenylethylidene)imidazolidine-2,4-dione

Database IDs

• MDL Number: MFCD10686735
• PubChem SID: 164311963
• PubChem CID: 15716906

CALCULATED PROPERTIES

• Acid pKa: 8.246641
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.0386027
• LogD (pH = 7.4): 0.9822765
• Log P: 1.0393714
• Molar Refractivity: 56.3285 cm^3
• Polarizability: 20.989164 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.151

Product Information

• Purity: 95%