{[2-(cyclopentylmethyl)-1H-imidazol-4-yl]methyl}(methyl)[(3-methylpyridin-2-yl)methyl]amine

• ChemBase ID: 571490
• Molecular Formular: C18H26N4
• Molecular Mass: 298.42584
• Monoisotopic Mass: 298.21574685
• SMILES: n1c(c[nH]c1CC1CCCC1)CN(Cc1ncccc1C)C
• Canonical SMILES: CN(Cc1ncccc1C)Cc1c[nH]c(n1)CC1CCCC1
• InChI: InChI=1S/C18H26N4/c1-14-6-5-9-19-17(14)13-22(2)12-16-11-20-18(21-16)10-15-7-3-4-8-15/h5-6,9,11,15H,3-4,7-8,10,12-13H2,1-2H3,(H,20,21)
• InChIKey: PQHSEMPPWSMDED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[2-(cyclopentylmethyl)-1H-imidazol-4-yl]methyl}(methyl)[(3-methylpyridin-2-yl)methyl]amine
• IUPAC Traditional name: {[2-(cyclopentylmethyl)-1H-imidazol-4-yl]methyl}(methyl)[(3-methylpyridin-2-yl)methyl]amine
• Synonyms: 1-[2-(cyclopentylmethyl)-1H-imidazol-4-yl]-N-methyl-N-[(3-methylpyridin-2-yl)methyl]methanamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.259244
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7045033
• LogD (pH = 7.4): 2.87695
• Log P: 2.9599383
• Molar Refractivity: 89.625 cm^3
• Polarizability: 34.905014 Å^3
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.25
• LOG S: -0.99
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 6