2-{1-[(1-cyclohexyl-1H-imidazol-5-yl)methyl]pyrrolidin-2-yl}pyridine

• ChemBase ID: 644683
• Molecular Formular: C19H26N4
• Molecular Mass: 310.43654
• Monoisotopic Mass: 310.21574685
• SMILES: c1(n(cnc1)C1CCCCC1)CN1C(c2ncccc2)CCC1
• Canonical SMILES: C1CCC(CC1)n1cncc1CN1CCCC1c1ccccn1
• InChI: InChI=1S/C19H26N4/c1-2-7-16(8-3-1)23-15-20-13-17(23)14-22-12-6-10-19(22)18-9-4-5-11-21-18/h4-5,9,11,13,15-16,19H,1-3,6-8,10,12,14H2
• InChIKey: NYICGRMPXPJVQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{1-[(1-cyclohexyl-1H-imidazol-5-yl)methyl]pyrrolidin-2-yl}pyridine
• IUPAC Traditional name: 2-{1-[(3-cyclohexylimidazol-4-yl)methyl]pyrrolidin-2-yl}pyridine
• Synonyms: 2-{1-[(1-cyclohexyl-1H-imidazol-5-yl)methyl]-2-pyrrolidinyl}pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3773569
• LogD (pH = 7.4): 2.791578
• Log P: 2.9451466
• Molar Refractivity: 92.5637 cm^3
• Polarizability: 36.08922 Å^3
• Polar Surface Area: 33.95 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: 1.76
• LOG S: -0.66
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 4