1-(4-methoxyphenyl)imidazolidin-2-one

• ChemBase ID: 43704
• Molecular Formular: C10H12N2O2
• Molecular Mass: 192.21448
• Monoisotopic Mass: 192.08987763
• SMILES: C1(=O)N(c2ccc(cc2)OC)CCN1
• Canonical SMILES: COc1ccc(cc1)N1CCNC1=O
• InChI: InChI=1S/C10H12N2O2/c1-14-9-4-2-8(3-5-9)12-7-6-11-10(12)13/h2-5H,6-7H2,1H3,(H,11,13)
• InChIKey: FNWSPWKYYZASIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methoxyphenyl)imidazolidin-2-one
• IUPAC Traditional name: 1-(4-methoxyphenyl)imidazolidin-2-one
• Synonyms: 1-(4-Methoxyphenyl)tetrahydro-2H-imidazol-2-one; 1-(4-Methoxyphenyl)tetrahydro-2H-imidazol-2-one; 1-(4-Methoxyphenyl)imidazolidin-2-one

Database IDs

• CAS Number: 62868-39-7
• MDL Number: MFCD01720969
• PubChem SID: 162048467
• PubChem CID: 26752

CALCULATED PROPERTIES

• Acid pKa: 15.585563
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.6359566
• LogD (pH = 7.4): 0.6359566
• Log P: 0.6359566
• Molar Refractivity: 52.1045 cm^3
• Polarizability: 19.983343 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 210 - 212 °C; 210-212°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: >95%