1-[(E)-2-phenylethenyl]imidazolidine-2,4-dione

• ChemBase ID: 256839
• Molecular Formular: C11H10N2O2
• Molecular Mass: 202.2093
• Monoisotopic Mass: 202.07422757
• SMILES: C1(=O)NC(=O)CN1/C=C/c1ccccc1
• Canonical SMILES: O=C1NC(=O)N(C1)/C=C/c1ccccc1
• InChI: InChI=1S/C11H10N2O2/c14-10-8-13(11(15)12-10)7-6-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,14,15)/b7-6+
• InChIKey: WEZLYFZSOOMMJI-VOTSOKGWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(E)-2-phenylethenyl]imidazolidine-2,4-dione
• IUPAC Traditional name: 1-[(E)-2-phenylethenyl]imidazolidine-2,4-dione
• Synonyms: 1-[(E)-2-phenylvinyl]imidazolidine-2,4-dione

Database IDs

• MDL Number: MFCD11099492
• PubChem SID: 164312749
• PubChem CID: 39869693

CALCULATED PROPERTIES

• Acid pKa: 9.526399
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.88122857
• LogD (pH = 7.4): 0.8780718
• Log P: 0.881269
• Molar Refractivity: 55.4035 cm^3
• Polarizability: 21.060875 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 224 - 226°C
• Hydrophobicity(logP): 1.318

Product Information

• Purity: 95%