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

• ChemBase ID: 572248
• Molecular Formular: C20H28FN3O2
• Molecular Mass: 361.4536232
• Monoisotopic Mass: 361.21655537
• SMILES: N1(C(=O)NC(C1=O)(Cc1ccc(F)cc1)C1CCNCC1)C(CC)CC
• Canonical SMILES: CCC(N1C(=O)NC(C1=O)(Cc1ccc(cc1)F)C1CCNCC1)CC
• InChI: InChI=1S/C20H28FN3O2/c1-3-17(4-2)24-18(25)20(23-19(24)26,15-9-11-22-12-10-15)13-14-5-7-16(21)8-6-14/h5-8,15,17,22H,3-4,9-13H2,1-2H3,(H,23,26)
• InChIKey: FJPLAJIYRYCJCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(4-fluorophenyl)methyl]-3-(pentan-3-yl)-5-(piperidin-4-yl)imidazolidine-2,4-dione
• IUPAC Traditional name: 5-[(4-fluorophenyl)methyl]-3-(pentan-3-yl)-5-(piperidin-4-yl)imidazolidine-2,4-dione
• Synonyms: 3-(1-ethylpropyl)-5-(4-fluorobenzyl)-5-piperidin-4-ylimidazolidine-2,4-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.108873
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.08110705
• LogD (pH = 7.4): 0.5890638
• Log P: 2.8038304
• Molar Refractivity: 98.4266 cm^3
• Polarizability: 38.264793 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.55
• LOG S: -4.87
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 6