3-phenylimidazolidine-2,4-dione

• ChemBase ID: 71236
• Molecular Formular: C9H8N2O2
• Molecular Mass: 176.17202
• Monoisotopic Mass: 176.05857751
• SMILES: C1(=O)N(C(=O)CN1)c1ccccc1
• Canonical SMILES: O=C1NCC(=O)N1c1ccccc1
• InChI: InChI=1S/C9H8N2O2/c12-8-6-10-9(13)11(8)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)
• InChIKey: RUEGAVIENIPHGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-phenylimidazolidine-2,4-dione
• IUPAC Traditional name: N-phenyl-2,5-imidazolidione
• Synonyms: 3-Phenylimidazolidine-2,4-dione; 3-phenyl-2,4-imidazolidinedione

Database IDs

• CAS Number: 2221-13-8
• MDL Number: MFCD00209486
• PubChem SID: 162036826
• PubChem CID: 227930

CALCULATED PROPERTIES

• H Donor: 1
• LogD (pH = 5.5): 0.43141404
• LogD (pH = 7.4): 0.43141302
• Log P: 0.43141404
• Molar Refractivity: 45.7204 cm^3
• Polarizability: 17.548962 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• Acid pKa: 13.031242

PROPERTIES

Product Information

• Purity: 95+%