N-{1-[(4-chlorophenyl)methyl]piperidin-3-yl}-2-(2-phenyl-1H-imidazol-1-yl)acetamide

• ChemBase ID: 376172
• Molecular Formular: C23H25ClN4O
• Molecular Mass: 408.9238
• Monoisotopic Mass: 408.17168912
• SMILES: n1(c(ncc1)c1ccccc1)CC(=O)NC1CN(Cc2ccc(Cl)cc2)CCC1
• Canonical SMILES: O=C(Cn1ccnc1c1ccccc1)NC1CCCN(C1)Cc1ccc(cc1)Cl
• InChI: InChI=1S/C23H25ClN4O/c24-20-10-8-18(9-11-20)15-27-13-4-7-21(16-27)26-22(29)17-28-14-12-25-23(28)19-5-2-1-3-6-19/h1-3,5-6,8-12,14,21H,4,7,13,15-17H2,(H,26,29)
• InChIKey: BSTVCHNNGHPSTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[(4-chlorophenyl)methyl]piperidin-3-yl}-2-(2-phenyl-1H-imidazol-1-yl)acetamide
• IUPAC Traditional name: N-{1-[(4-chlorophenyl)methyl]piperidin-3-yl}-2-(2-phenylimidazol-1-yl)acetamide
• Synonyms: N-[1-(4-chlorobenzyl)-3-piperidinyl]-2-(2-phenyl-1H-imidazol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.74787
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5795412
• LogD (pH = 7.4): 3.5925446
• Log P: 3.8106656
• Molar Refractivity: 126.4623 cm^3
• Polarizability: 45.600792 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.64
• LOG S: -5.92
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 6