5-[(4-fluorophenyl)methyl]-5-[1-(quinolin-4-yl)piperidin-4-yl]imidazolidine-2,4-dione

• ChemBase ID: 638290
• Molecular Formular: C24H23FN4O2
• Molecular Mass: 418.4634232
• Monoisotopic Mass: 418.18050422
• SMILES: N1C(=O)C(NC1=O)(C1CCN(c2c3c(ncc2)cccc3)CC1)Cc1ccc(F)cc1
• Canonical SMILES: O=C1NC(=O)C(N1)(Cc1ccc(cc1)F)C1CCN(CC1)c1ccnc2c1cccc2
• InChI: InChI=1S/C24H23FN4O2/c25-18-7-5-16(6-8-18)15-24(22(30)27-23(31)28-24)17-10-13-29(14-11-17)21-9-12-26-20-4-2-1-3-19(20)21/h1-9,12,17H,10-11,13-15H2,(H2,27,28,30,31)
• InChIKey: JHBGADZPUGEIBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(4-fluorophenyl)methyl]-5-[1-(quinolin-4-yl)piperidin-4-yl]imidazolidine-2,4-dione
• IUPAC Traditional name: 5-[(4-fluorophenyl)methyl]-5-[1-(quinolin-4-yl)piperidin-4-yl]imidazolidine-2,4-dione
• Synonyms: 5-(4-fluorobenzyl)-5-(1-quinolin-4-ylpiperidin-4-yl)imidazolidine-2,4-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.909032
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.2129786
• LogD (pH = 7.4): 2.8729591
• Log P: 3.4350939
• Molar Refractivity: 115.029 cm^3
• Polarizability: 44.850586 Å^3
• Polar Surface Area: 74.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.54
• LOG S: -5.27
• Polar Surface Area: 74.33 Å^2
• Rotatable Bonds: 4