1-[(1-benzyl-1H-imidazol-2-yl)methyl]-4-(5-methylpyridin-2-yl)piperidin-4-ol

• ChemBase ID: 861835
• Molecular Formular: C22H26N4O
• Molecular Mass: 362.46804
• Monoisotopic Mass: 362.21066147
• SMILES: c1(n(ccn1)Cc1ccccc1)CN1CCC(c2ncc(cc2)C)(CC1)O
• Canonical SMILES: Cc1ccc(nc1)C1(O)CCN(CC1)Cc1nccn1Cc1ccccc1
• InChI: InChI=1S/C22H26N4O/c1-18-7-8-20(24-15-18)22(27)9-12-25(13-10-22)17-21-23-11-14-26(21)16-19-5-3-2-4-6-19/h2-8,11,14-15,27H,9-10,12-13,16-17H2,1H3
• InChIKey: UCYQFJRYAKDVIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(1-benzyl-1H-imidazol-2-yl)methyl]-4-(5-methylpyridin-2-yl)piperidin-4-ol
• IUPAC Traditional name: 1-[(1-benzylimidazol-2-yl)methyl]-4-(5-methylpyridin-2-yl)piperidin-4-ol
• Synonyms: 1-[(1-benzyl-1H-imidazol-2-yl)methyl]-4-(5-methylpyridin-2-yl)piperidin-4-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.399256
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2089729
• LogD (pH = 7.4): 2.364724
• Log P: 2.465389
• Molar Refractivity: 107.1306 cm^3
• Polarizability: 41.427704 Å^3
• Polar Surface Area: 54.18 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.4
• LOG S: -2.03
• Polar Surface Area: 54.18 Å^2
• Rotatable Bonds: 5