2-[4-(1-benzyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-6-methylpyridine

• ChemBase ID: 721436
• Molecular Formular: C22H24N4O
• Molecular Mass: 360.45216
• Monoisotopic Mass: 360.19501141
• SMILES: n1(c(ncc1)C1CCN(C(=O)c2nc(ccc2)C)CC1)Cc1ccccc1
• Canonical SMILES: Cc1cccc(n1)C(=O)N1CCC(CC1)c1nccn1Cc1ccccc1
• InChI: InChI=1S/C22H24N4O/c1-17-6-5-9-20(24-17)22(27)25-13-10-19(11-14-25)21-23-12-15-26(21)16-18-7-3-2-4-8-18/h2-9,12,15,19H,10-11,13-14,16H2,1H3
• InChIKey: QYIHYFAFFQPHSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(1-benzyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-6-methylpyridine
• IUPAC Traditional name: 2-[4-(1-benzylimidazol-2-yl)piperidine-1-carbonyl]-6-methylpyridine
• Synonyms: 2-{[4-(1-benzyl-1H-imidazol-2-yl)piperidin-1-yl]carbonyl}-6-methylpyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.131864
• LogD (pH = 7.4): 2.7650938
• Log P: 2.7932324
• Molar Refractivity: 105.6934 cm^3
• Polarizability: 40.275776 Å^3
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.93
• LOG S: -3.48
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 4