[(2-butyl-1H-imidazol-4-yl)methyl](methyl)(quinolin-5-ylmethyl)amine

• ChemBase ID: 340225
• Molecular Formular: C19H24N4
• Molecular Mass: 308.42066
• Monoisotopic Mass: 308.20009679
• SMILES: n1c(c[nH]c1CCCC)CN(Cc1c2c(nccc2)ccc1)C
• Canonical SMILES: CCCCc1[nH]cc(n1)CN(Cc1cccc2c1cccn2)C
• InChI: InChI=1S/C19H24N4/c1-3-4-10-19-21-12-16(22-19)14-23(2)13-15-7-5-9-18-17(15)8-6-11-20-18/h5-9,11-12H,3-4,10,13-14H2,1-2H3,(H,21,22)
• InChIKey: BUVNMOYMLMPKGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-butyl-1H-imidazol-4-yl)methyl](methyl)(quinolin-5-ylmethyl)amine
• IUPAC Traditional name: [(2-butyl-1H-imidazol-4-yl)methyl](methyl)(quinolin-5-ylmethyl)amine
• Synonyms: 1-(2-butyl-1H-imidazol-4-yl)-N-methyl-N-(5-quinolinylmethyl)methanamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.286639
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3540071
• LogD (pH = 7.4): 2.9604053
• Log P: 3.47251
• Molar Refractivity: 93.8368 cm^3
• Polarizability: 37.76384 Å^3
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.72
• LOG S: -2.76
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 7