1-[3-(benzyloxy)propyl]imidazolidin-2-one

• ChemBase ID: 578539
• Molecular Formular: C13H18N2O2
• Molecular Mass: 234.29422
• Monoisotopic Mass: 234.13682783
• SMILES: C1(=O)N(CCCOCc2ccccc2)CCN1
• Canonical SMILES: O=C1NCCN1CCCOCc1ccccc1
• InChI: InChI=1S/C13H18N2O2/c16-13-14-7-9-15(13)8-4-10-17-11-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2,(H,14,16)
• InChIKey: UIBYYNXHXBELTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(benzyloxy)propyl]imidazolidin-2-one
• IUPAC Traditional name: 1-[3-(benzyloxy)propyl]imidazolidin-2-one
• Synonyms: 1-[3-(benzyloxy)propyl]imidazolidin-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.997137
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.8731267
• LogD (pH = 7.4): 0.8731266
• Log P: 0.87312675
• Molar Refractivity: 66.3852 cm^3
• Polarizability: 25.522768 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 1.85
• LOG S: -2.49
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 6