3-[(2-fluoro-5-methylphenyl)methyl]-5-(piperidin-4-yl)-5-propylimidazolidine-2,4-dione

• ChemBase ID: 671440
• Molecular Formular: C19H26FN3O2
• Molecular Mass: 347.4270432
• Monoisotopic Mass: 347.20090531
• SMILES: N1(C(=O)NC(C1=O)(C1CCNCC1)CCC)Cc1c(ccc(c1)C)F
• Canonical SMILES: CCCC1(NC(=O)N(C1=O)Cc1cc(C)ccc1F)C1CCNCC1
• InChI: InChI=1S/C19H26FN3O2/c1-3-8-19(15-6-9-21-10-7-15)17(24)23(18(25)22-19)12-14-11-13(2)4-5-16(14)20/h4-5,11,15,21H,3,6-10,12H2,1-2H3,(H,22,25)
• InChIKey: WWOBVIPRXHRHBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(2-fluoro-5-methylphenyl)methyl]-5-(piperidin-4-yl)-5-propylimidazolidine-2,4-dione
• IUPAC Traditional name: 3-[(2-fluoro-5-methylphenyl)methyl]-5-(piperidin-4-yl)-5-propylimidazolidine-2,4-dione
• Synonyms: 3-(2-fluoro-5-methylbenzyl)-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.1318035
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.3508774
• LogD (pH = 7.4): 0.3192701
• Log P: 2.5454628
• Molar Refractivity: 94.371 cm^3
• Polarizability: 36.35135 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.27
• LOG S: -4.53
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 5