dimethyl[1-(pyridin-2-yl)-2-[2-(pyridin-2-yl)-1H-imidazol-1-yl]ethyl]amine

• ChemBase ID: 452759
• Molecular Formular: C17H19N5
• Molecular Mass: 293.36626
• Monoisotopic Mass: 293.16404563
• SMILES: n1(c(ncc1)c1ncccc1)CC(c1ncccc1)N(C)C
• Canonical SMILES: CN(C(c1ccccn1)Cn1ccnc1c1ccccn1)C
• InChI: InChI=1S/C17H19N5/c1-21(2)16(14-7-3-5-9-18-14)13-22-12-11-20-17(22)15-8-4-6-10-19-15/h3-12,16H,13H2,1-2H3
• InChIKey: KAOMOYQGUIZPOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl[1-(pyridin-2-yl)-2-[2-(pyridin-2-yl)-1H-imidazol-1-yl]ethyl]amine
• IUPAC Traditional name: dimethyl[1-(pyridin-2-yl)-2-[2-(pyridin-2-yl)imidazol-1-yl]ethyl]amine
• Synonyms: N,N-dimethyl-1-pyridin-2-yl-2-(2-pyridin-2-yl-1H-imidazol-1-yl)ethanamine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 1.08
• LOG S: 0.05
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 5
• H Acceptors: 4
• H Donor: 0

JChem

• Molar Refractivity: 96.1801 cm^3
• Polarizability: 34.04618 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.1288382
• LogD (pH = 7.4): 1.7539245
• Log P: 2.0902734