5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)-5-(1-propylpiperidin-4-yl)imidazolidine-2,4-dione

• ChemBase ID: 358858
• Molecular Formular: C22H32FN3O2
• Molecular Mass: 389.5067832
• Monoisotopic Mass: 389.2478555
• SMILES: N1(C(=O)NC(C1=O)(Cc1cc(F)ccc1)C1CCN(CC1)CCC)CC(C)C
• Canonical SMILES: CCCN1CCC(CC1)C1(Cc2cccc(c2)F)NC(=O)N(C1=O)CC(C)C
• InChI: InChI=1S/C22H32FN3O2/c1-4-10-25-11-8-18(9-12-25)22(14-17-6-5-7-19(23)13-17)20(27)26(15-16(2)3)21(28)24-22/h5-7,13,16,18H,4,8-12,14-15H2,1-3H3,(H,24,28)
• InChIKey: HMWJCDLXUMAFLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)-5-(1-propylpiperidin-4-yl)imidazolidine-2,4-dione
• IUPAC Traditional name: 5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)-5-(1-propylpiperidin-4-yl)imidazolidine-2,4-dione
• Synonyms: 5-(3-fluorobenzyl)-3-isobutyl-5-(1-propyl-4-piperidinyl)-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• Acid pKa: 11.157195
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.54834795
• LogD (pH = 7.4): 2.0509431
• Log P: 3.7356193
• Molar Refractivity: 108.5227 cm^3
• Polarizability: 41.9393 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 4
• H Acceptors: 3
• H Donor: 1
• Log P: 4.11
• LOG S: -4.44