5-[(2-chlorophenyl)methyl]-5-[1-(naphthalene-1-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione

• ChemBase ID: 323810
• Molecular Formular: C26H24ClN3O3
• Molecular Mass: 461.94006
• Monoisotopic Mass: 461.15061932
• SMILES: C1(C(=O)NC(=O)N1)(Cc1c(Cl)cccc1)C1CCN(C(=O)c2c3c(ccc2)cccc3)CC1
• Canonical SMILES: O=C1NC(=O)C(N1)(Cc1ccccc1Cl)C1CCN(CC1)C(=O)c1cccc2c1cccc2
• InChI: InChI=1S/C26H24ClN3O3/c27-22-11-4-2-7-18(22)16-26(24(32)28-25(33)29-26)19-12-14-30(15-13-19)23(31)21-10-5-8-17-6-1-3-9-20(17)21/h1-11,19H,12-16H2,(H2,28,29,32,33)
• InChIKey: HVGYLMKIIYAHJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(2-chlorophenyl)methyl]-5-[1-(naphthalene-1-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
• IUPAC Traditional name: 5-[(2-chlorophenyl)methyl]-5-[1-(naphthalene-1-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
• Synonyms: 5-(2-chlorobenzyl)-5-[1-(1-naphthoyl)-4-piperidinyl]-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.89217
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 4.012808
• LogD (pH = 7.4): 4.011445
• Log P: 4.012825
• Molar Refractivity: 126.5895 cm^3
• Polarizability: 49.65511 Å^3
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.12
• LOG S: -5.85
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 4