[(1-benzylpyrrolidin-3-yl)methyl](1H-imidazol-2-ylmethyl)methylamine

• ChemBase ID: 699786
• Molecular Formular: C17H24N4
• Molecular Mass: 284.39926
• Monoisotopic Mass: 284.20009679
• SMILES: n1c([nH]cc1)CN(CC1CN(Cc2ccccc2)CC1)C
• Canonical SMILES: CN(Cc1ncc[nH]1)CC1CCN(C1)Cc1ccccc1
• InChI: InChI=1S/C17H24N4/c1-20(14-17-18-8-9-19-17)11-16-7-10-21(13-16)12-15-5-3-2-4-6-15/h2-6,8-9,16H,7,10-14H2,1H3,(H,18,19)
• InChIKey: DPCWYIRNDYRGIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1-benzylpyrrolidin-3-yl)methyl](1H-imidazol-2-ylmethyl)methylamine
• IUPAC Traditional name: [(1-benzylpyrrolidin-3-yl)methyl](1H-imidazol-2-ylmethyl)methylamine
• Synonyms: 1-(1-benzylpyrrolidin-3-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.619322
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.5515993
• LogD (pH = 7.4): -0.6790341
• Log P: 1.678207
• Molar Refractivity: 87.0644 cm^3
• Polarizability: 33.818382 Å^3
• Polar Surface Area: 35.16 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: 1.48
• LOG S: -1.53
• Polar Surface Area: 35.16 Å^2
• Rotatable Bonds: 6