4-(1-benzyl-1H-imidazol-2-yl)-N-cyclohexylpiperidine-1-carboxamide

• ChemBase ID: 557988
• Molecular Formular: C22H30N4O
• Molecular Mass: 366.4998
• Monoisotopic Mass: 366.2419616
• SMILES: n1(c(ncc1)C1CCN(C(=O)NC2CCCCC2)CC1)Cc1ccccc1
• Canonical SMILES: O=C(N1CCC(CC1)c1nccn1Cc1ccccc1)NC1CCCCC1
• InChI: InChI=1S/C22H30N4O/c27-22(24-20-9-5-2-6-10-20)25-14-11-19(12-15-25)21-23-13-16-26(21)17-18-7-3-1-4-8-18/h1,3-4,7-8,13,16,19-20H,2,5-6,9-12,14-15,17H2,(H,24,27)
• InChIKey: CMKAVRNQSHDUHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-benzyl-1H-imidazol-2-yl)-N-cyclohexylpiperidine-1-carboxamide
• IUPAC Traditional name: 4-(1-benzylimidazol-2-yl)-N-cyclohexylpiperidine-1-carboxamide
• Synonyms: 4-(1-benzyl-1H-imidazol-2-yl)-N-cyclohexyl-1-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.163312
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.66763
• LogD (pH = 7.4): 3.3007736
• Log P: 3.3289108
• Molar Refractivity: 107.5479 cm^3
• Polarizability: 41.48268 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.78
• LOG S: -5.1
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 4