2-(1H-imidazol-2-yl)-N-[2-(3-phenylpiperidin-1-yl)ethyl]benzamide

• ChemBase ID: 759664
• Molecular Formular: C23H26N4O
• Molecular Mass: 374.47874
• Monoisotopic Mass: 374.21066147
• SMILES: c1(c2c(C(=O)NCCN3CC(c4ccccc4)CCC3)cccc2)ncc[nH]1
• Canonical SMILES: O=C(c1ccccc1c1[nH]ccn1)NCCN1CCCC(C1)c1ccccc1
• InChI: InChI=1S/C23H26N4O/c28-23(21-11-5-4-10-20(21)22-24-12-13-25-22)26-14-16-27-15-6-9-19(17-27)18-7-2-1-3-8-18/h1-5,7-8,10-13,19H,6,9,14-17H2,(H,24,25)(H,26,28)
• InChIKey: WAVZHYARYMDUOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1H-imidazol-2-yl)-N-[2-(3-phenylpiperidin-1-yl)ethyl]benzamide
• IUPAC Traditional name: 2-(1H-imidazol-2-yl)-N-[2-(3-phenylpiperidin-1-yl)ethyl]benzamide
• Synonyms: 2-(1H-imidazol-2-yl)-N-[2-(3-phenylpiperidin-1-yl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.35568
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.026087238
• LogD (pH = 7.4): 2.2647846
• Log P: 3.3216498
• Molar Refractivity: 122.8172 cm^3
• Polarizability: 43.475033 Å^3
• Polar Surface Area: 61.02 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: 2.32
• LOG S: -3.91
• Polar Surface Area: 61.02 Å^2
• Rotatable Bonds: 6