1-phenylimidazolidin-2-one

• ChemBase ID: 73612
• Molecular Formular: C9H10N2O
• Molecular Mass: 162.1885
• Monoisotopic Mass: 162.07931295
• SMILES: N1(c2ccccc2)C(=O)NCC1
• Canonical SMILES: O=C1NCCN1c1ccccc1
• InChI: InChI=1S/C9H10N2O/c12-9-10-6-7-11(9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,12)
• InChIKey: QKKGTRSHKSWYAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenylimidazolidin-2-one
• IUPAC Traditional name: 1-phenylimidazolidin-2-one
• Synonyms: 1-Phenylimidazolidin-2-one

Database IDs

• CAS Number: 1848-69-7
• MDL Number: MFCD02671066
• PubChem SID: 162038531
• PubChem CID: 255273

CALCULATED PROPERTIES

• Acid pKa: 15.5853405
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.79362786
• LogD (pH = 7.4): 0.79362786
• Log P: 0.79362786
• Molar Refractivity: 45.6413 cm^3
• Polarizability: 17.453514 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant