5-[1-(2,2-diphenylethyl)piperidin-4-yl]-5-(3-methylbutyl)imidazolidine-2,4-dione

• ChemBase ID: 321421
• Molecular Formular: C27H35N3O2
• Molecular Mass: 433.5857
• Monoisotopic Mass: 433.27292738
• SMILES: N1C(=O)C(NC1=O)(CCC(C)C)C1CCN(CC(c2ccccc2)c2ccccc2)CC1
• Canonical SMILES: CC(CCC1(NC(=O)NC1=O)C1CCN(CC1)CC(c1ccccc1)c1ccccc1)C
• InChI: InChI=1S/C27H35N3O2/c1-20(2)13-16-27(25(31)28-26(32)29-27)23-14-17-30(18-15-23)19-24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,20,23-24H,13-19H2,1-2H3,(H2,28,29,31,32)
• InChIKey: GYTZMOZGWDWOMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.319092
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.4612215
• LogD (pH = 7.4): 2.5624447
• Log P: 4.4858174
• Molar Refractivity: 127.9826 cm^3
• Polarizability: 49.964745 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: 4.75
• LOG S: -5.53
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 7