dimethyl(1-{4-[1-(pyridin-2-ylmethyl)-1H-imidazol-2-yl]phenyl}ethyl)amine

• ChemBase ID: 618132
• Molecular Formular: C19H22N4
• Molecular Mass: 306.40478
• Monoisotopic Mass: 306.18444672
• SMILES: n1(c(ncc1)c1ccc(C(N(C)C)C)cc1)Cc1ncccc1
• Canonical SMILES: CN(C(c1ccc(cc1)c1nccn1Cc1ccccn1)C)C
• InChI: InChI=1S/C19H22N4/c1-15(22(2)3)16-7-9-17(10-8-16)19-21-12-13-23(19)14-18-6-4-5-11-20-18/h4-13,15H,14H2,1-3H3
• InChIKey: XAHDUQRDMXZYLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.7244854
• LogD (pH = 7.4): 1.4108149
• Log P: 3.0494664
• Molar Refractivity: 103.9061 cm^3
• Polarizability: 36.80973 Å^3
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.89
• LOG S: -0.74
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 5