5-(1-benzylpiperidin-4-yl)-5-(3-phenylpropyl)imidazolidine-2,4-dione

• ChemBase ID: 329951
• Molecular Formular: C24H29N3O2
• Molecular Mass: 391.50596
• Monoisotopic Mass: 391.22597718
• SMILES: N1C(=O)C(NC1=O)(C1CCN(Cc2ccccc2)CC1)CCCc1ccccc1
• Canonical SMILES: O=C1NC(=O)C(N1)(CCCc1ccccc1)C1CCN(CC1)Cc1ccccc1
• InChI: InChI=1S/C24H29N3O2/c28-22-24(26-23(29)25-22,15-7-12-19-8-3-1-4-9-19)21-13-16-27(17-14-21)18-20-10-5-2-6-11-20/h1-6,8-11,21H,7,12-18H2,(H2,25,26,28,29)
• InChIKey: GSOXWAZIEKIAQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(1-benzylpiperidin-4-yl)-5-(3-phenylpropyl)imidazolidine-2,4-dione
• IUPAC Traditional name: 5-(1-benzylpiperidin-4-yl)-5-(3-phenylpropyl)imidazolidine-2,4-dione
• Synonyms: 5-(1-benzyl-4-piperidinyl)-5-(3-phenylpropyl)-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.205194
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.8957142
• LogD (pH = 7.4): 2.5864735
• Log P: 3.73164
• Molar Refractivity: 114.2074 cm^3
• Polarizability: 44.43442 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.66
• LOG S: -4.43
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 7