5-[(2-fluorophenyl)methyl]-5-{1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl}imidazolidine-2,4-dione

• ChemBase ID: 401504
• Molecular Formular: C24H30FN3O3
• Molecular Mass: 427.5117032
• Monoisotopic Mass: 427.22712006
• SMILES: C1(C(=O)NC(=O)N1)(Cc1c(F)cccc1)C1CCN(CCC(c2oc(cc2)C)C)CC1
• Canonical SMILES: O=C1NC(=O)C(N1)(Cc1ccccc1F)C1CCN(CC1)CCC(c1ccc(o1)C)C
• InChI: InChI=1S/C24H30FN3O3/c1-16(21-8-7-17(2)31-21)9-12-28-13-10-19(11-14-28)24(22(29)26-23(30)27-24)15-18-5-3-4-6-20(18)25/h3-8,16,19H,9-15H2,1-2H3,(H2,26,27,29,30)
• InChIKey: AWGZMYJXGUQGEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(2-fluorophenyl)methyl]-5-{1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl}imidazolidine-2,4-dione
• IUPAC Traditional name: 5-[(2-fluorophenyl)methyl]-5-{1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl}imidazolidine-2,4-dione
• Synonyms: 5-(2-fluorobenzyl)-5-{1-[3-(5-methyl-2-furyl)butyl]-4-piperidinyl}-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.7828245
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.2129653
• LogD (pH = 7.4): 1.8072774
• Log P: 2.9806623
• Molar Refractivity: 116.744 cm^3
• Polarizability: 44.58427 Å^3
• Polar Surface Area: 74.58 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 3.51
• LOG S: -5.04
• Polar Surface Area: 74.58 Å^2
• Rotatable Bonds: 7