5-(2-phenylethyl)-5-[1-(3-phenylpropyl)piperidin-4-yl]imidazolidine-2,4-dione

• ChemBase ID: 373205
• Molecular Formular: C25H31N3O2
• Molecular Mass: 405.53254
• Monoisotopic Mass: 405.24162725
• SMILES: N1C(=O)C(NC1=O)(CCc1ccccc1)C1CCN(CC1)CCCc1ccccc1
• Canonical SMILES: O=C1NC(=O)C(N1)(CCc1ccccc1)C1CCN(CC1)CCCc1ccccc1
• InChI: InChI=1S/C25H31N3O2/c29-23-25(27-24(30)26-23,16-13-21-10-5-2-6-11-21)22-14-18-28(19-15-22)17-7-12-20-8-3-1-4-9-20/h1-6,8-11,22H,7,12-19H2,(H2,26,27,29,30)
• InChIKey: ZDOINIBUFSKHFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-phenylethyl)-5-[1-(3-phenylpropyl)piperidin-4-yl]imidazolidine-2,4-dione
• IUPAC Traditional name: 5-(2-phenylethyl)-5-[1-(3-phenylpropyl)piperidin-4-yl]imidazolidine-2,4-dione
• Synonyms: 5-(2-phenylethyl)-5-[1-(3-phenylpropyl)-4-piperidinyl]-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.241168
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.91727376
• LogD (pH = 7.4): 2.348948
• Log P: 3.948025
• Molar Refractivity: 118.9624 cm^3
• Polarizability: 46.280354 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.65
• LOG S: -5.12
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 8