5-[(2-fluorophenyl)methyl]-3-(2-methylpropyl)-5-(piperidin-4-yl)imidazolidine-2,4-dione

• ChemBase ID: 375348
• Molecular Formular: C19H26FN3O2
• Molecular Mass: 347.4270432
• Monoisotopic Mass: 347.20090531
• SMILES: N1(C(=O)NC(C1=O)(Cc1c(F)cccc1)C1CCNCC1)CC(C)C
• Canonical SMILES: CC(CN1C(=O)NC(C1=O)(Cc1ccccc1F)C1CCNCC1)C
• InChI: InChI=1S/C19H26FN3O2/c1-13(2)12-23-17(24)19(22-18(23)25,15-7-9-21-10-8-15)11-14-5-3-4-6-16(14)20/h3-6,13,15,21H,7-12H2,1-2H3,(H,22,25)
• InChIKey: LHGZDJXCVYPZNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(2-fluorophenyl)methyl]-3-(2-methylpropyl)-5-(piperidin-4-yl)imidazolidine-2,4-dione
• IUPAC Traditional name: 5-[(2-fluorophenyl)methyl]-3-(2-methylpropyl)-5-(piperidin-4-yl)imidazolidine-2,4-dione
• Synonyms: 5-(2-fluorobenzyl)-3-isobutyl-5-piperidin-4-ylimidazolidine-2,4-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.078242
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.65522873
• LogD (pH = 7.4): 0.014974496
• Log P: 2.2105987
• Molar Refractivity: 93.9554 cm^3
• Polarizability: 36.428696 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: 3.02
• LOG S: -4.31
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 5