2,6-dimethyl-4-{[2-(pyridin-4-yl)-1H-imidazol-1-yl]methyl}pyridine

• ChemBase ID: 530560
• Molecular Formular: C16H16N4
• Molecular Mass: 264.32504
• Monoisotopic Mass: 264.13749653
• SMILES: n1(c(ncc1)c1ccncc1)Cc1cc(nc(c1)C)C
• Canonical SMILES: Cc1cc(cc(n1)C)Cn1ccnc1c1ccncc1
• InChI: InChI=1S/C16H16N4/c1-12-9-14(10-13(2)19-12)11-20-8-7-18-16(20)15-3-5-17-6-4-15/h3-10H,11H2,1-2H3
• InChIKey: OJYFMIKWAGZOBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethyl-4-{[2-(pyridin-4-yl)-1H-imidazol-1-yl]methyl}pyridine
• IUPAC Traditional name: 2,6-dimethyl-4-{[2-(pyridin-4-yl)imidazol-1-yl]methyl}pyridine
• Synonyms: 2,6-dimethyl-4-[(2-pyridin-4-yl-1H-imidazol-1-yl)methyl]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.19135903
• LogD (pH = 7.4): 1.5037949
• Log P: 1.6550907
• Molar Refractivity: 88.4929 cm^3
• Polarizability: 30.513828 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.44
• LOG S: -1.06
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 3