(butan-2-yl)({[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl})(pyridin-3-ylmethyl)amine

• ChemBase ID: 515667
• Molecular Formular: C17H26N4O
• Molecular Mass: 302.41454
• Monoisotopic Mass: 302.21066147
• SMILES: c1(n(ccn1)CCOC)CN(Cc1cnccc1)C(CC)C
• Canonical SMILES: COCCn1ccnc1CN(C(CC)C)Cc1cccnc1
• InChI: InChI=1S/C17H26N4O/c1-4-15(2)21(13-16-6-5-7-18-12-16)14-17-19-8-9-20(17)10-11-22-3/h5-9,12,15H,4,10-11,13-14H2,1-3H3
• InChIKey: ALMCBJJHSHFIIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (butan-2-yl)({[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl})(pyridin-3-ylmethyl)amine
• IUPAC Traditional name: {[1-(2-methoxyethyl)imidazol-2-yl]methyl}(pyridin-3-ylmethyl)sec-butylamine
• Synonyms: N-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}-N-(pyridin-3-ylmethyl)butan-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.3336254
• LogD (pH = 7.4): 1.6708392
• Log P: 1.8487456
• Molar Refractivity: 88.9698 cm^3
• Polarizability: 34.545902 Å^3
• Polar Surface Area: 43.18 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.25
• LOG S: -0.16
• Polar Surface Area: 43.18 Å^2
• Rotatable Bonds: 9