[(1-ethyl-1H-1,3-benzodiazol-2-yl)methyl](methyl)[1-(pyrazin-2-yl)propan-2-yl]amine

• ChemBase ID: 515797
• Molecular Formular: C18H23N5
• Molecular Mass: 309.40872
• Monoisotopic Mass: 309.19534576
• SMILES: c1(nc2c(n1CC)cccc2)CN(C(Cc1nccnc1)C)C
• Canonical SMILES: CCn1c(CN(C(Cc2cnccn2)C)C)nc2c1cccc2
• InChI: InChI=1S/C18H23N5/c1-4-23-17-8-6-5-7-16(17)21-18(23)13-22(3)14(2)11-15-12-19-9-10-20-15/h5-10,12,14H,4,11,13H2,1-3H3
• InChIKey: WGLPTZOAXDBKMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1-ethyl-1H-1,3-benzodiazol-2-yl)methyl](methyl)[1-(pyrazin-2-yl)propan-2-yl]amine
• IUPAC Traditional name: [(1-ethyl-1,3-benzodiazol-2-yl)methyl](methyl)[1-(pyrazin-2-yl)propan-2-yl]amine
• Synonyms: N-[(1-ethyl-1H-benzimidazol-2-yl)methyl]-N-methyl-1-pyrazin-2-ylpropan-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.24394676
• LogD (pH = 7.4): 1.4412045
• Log P: 1.8787391
• Molar Refractivity: 91.3783 cm^3
• Polarizability: 36.742336 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.53
• LOG S: -2.61
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 6