2-{[2-(1-cyclopentanecarbonylpiperidin-3-yl)-1H-imidazol-1-yl]methyl}pyridine

• ChemBase ID: 527204
• Molecular Formular: C20H26N4O
• Molecular Mass: 338.44664
• Monoisotopic Mass: 338.21066147
• SMILES: c1(n(ccn1)Cc1ncccc1)C1CN(C(=O)C2CCCC2)CCC1
• Canonical SMILES: O=C(N1CCCC(C1)c1nccn1Cc1ccccn1)C1CCCC1
• InChI: InChI=1S/C20H26N4O/c25-20(16-6-1-2-7-16)24-12-5-8-17(14-24)19-22-11-13-23(19)15-18-9-3-4-10-21-18/h3-4,9-11,13,16-17H,1-2,5-8,12,14-15H2
• InChIKey: VYAIPHQANUYLIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[2-(1-cyclopentanecarbonylpiperidin-3-yl)-1H-imidazol-1-yl]methyl}pyridine
• IUPAC Traditional name: 2-{[2-(1-cyclopentanecarbonylpiperidin-3-yl)imidazol-1-yl]methyl}pyridine
• Synonyms: 2-({2-[1-(cyclopentylcarbonyl)-3-piperidinyl]-1H-imidazol-1-yl}methyl)pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.587991
• LogD (pH = 7.4): 2.3008132
• Log P: 2.3281503
• Molar Refractivity: 96.7284 cm^3
• Polarizability: 37.605003 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: 1.7
• LOG S: -1.82
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 4