dimethyl[1-(3-{1-[2-(pyridin-2-yl)ethyl]-1H-imidazol-2-yl}phenyl)ethyl]amine

• ChemBase ID: 340272
• Molecular Formular: C20H24N4
• Molecular Mass: 320.43136
• Monoisotopic Mass: 320.20009679
• SMILES: c1(n(ccn1)CCc1ncccc1)c1cc(C(N(C)C)C)ccc1
• Canonical SMILES: CN(C(c1cccc(c1)c1nccn1CCc1ccccn1)C)C
• InChI: InChI=1S/C20H24N4/c1-16(23(2)3)17-7-6-8-18(15-17)20-22-12-14-24(20)13-10-19-9-4-5-11-21-19/h4-9,11-12,14-16H,10,13H2,1-3H3
• InChIKey: OADKLFFAUSWJGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl[1-(3-{1-[2-(pyridin-2-yl)ethyl]-1H-imidazol-2-yl}phenyl)ethyl]amine
• IUPAC Traditional name: dimethyl[1-(3-{1-[2-(pyridin-2-yl)ethyl]imidazol-2-yl}phenyl)ethyl]amine
• Synonyms: N,N-dimethyl-1-{3-[1-(2-pyridin-2-ylethyl)-1H-imidazol-2-yl]phenyl}ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.78504777
• LogD (pH = 7.4): 1.3891388
• Log P: 3.2864792
• Molar Refractivity: 108.6055 cm^3
• Polarizability: 38.57584 Å^3
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.31
• LOG S: -1.2
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 6