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

• ChemBase ID: 588187
• Molecular Formular: C15H18FN3O2
• Molecular Mass: 291.3207232
• Monoisotopic Mass: 291.13830505
• SMILES: N1C(=O)C(NC1=O)(Cc1cc(F)ccc1)C1CCNCC1
• Canonical SMILES: O=C1NC(=O)C(N1)(Cc1cccc(c1)F)C1CCNCC1
• InChI: InChI=1S/C15H18FN3O2/c16-12-3-1-2-10(8-12)9-15(11-4-6-17-7-5-11)13(20)18-14(21)19-15/h1-3,8,11,17H,4-7,9H2,(H2,18,19,20,21)
• InChIKey: ZZAZDGLWQGBVGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.638736
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -2.122993
• LogD (pH = 7.4): -1.4504275
• Log P: 0.4137042
• Molar Refractivity: 75.3145 cm^3
• Polarizability: 29.09627 Å^3
• Polar Surface Area: 70.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 1.37
• LOG S: -2.5
• Polar Surface Area: 70.23 Å^2
• Rotatable Bonds: 3