dimethyl(1-{4-[1-(5-methylpyridin-3-yl)-1H-imidazol-2-yl]phenyl}ethyl)amine

• ChemBase ID: 545076
• Molecular Formular: C19H22N4
• Molecular Mass: 306.40478
• Monoisotopic Mass: 306.18444672
• SMILES: n1(c(ncc1)c1ccc(C(N(C)C)C)cc1)c1cc(cnc1)C
• Canonical SMILES: CN(C(c1ccc(cc1)c1nccn1c1cncc(c1)C)C)C
• InChI: InChI=1S/C19H22N4/c1-14-11-18(13-20-12-14)23-10-9-21-19(23)17-7-5-16(6-8-17)15(2)22(3)4/h5-13,15H,1-4H3
• InChIKey: ALRNXVJNFPCSOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(1-{4-[1-(5-methylpyridin-3-yl)-1H-imidazol-2-yl]phenyl}ethyl)amine
• IUPAC Traditional name: dimethyl(1-{4-[1-(5-methylpyridin-3-yl)imidazol-2-yl]phenyl}ethyl)amine
• Synonyms: N,N-dimethyl-1-{4-[1-(5-methylpyridin-3-yl)-1H-imidazol-2-yl]phenyl}ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.4810374
• LogD (pH = 7.4): 1.7831506
• Log P: 3.4149013
• Molar Refractivity: 114.9538 cm^3
• Polarizability: 37.526466 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: 3.5
• LOG S: -3.42
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 4