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

• ChemBase ID: 418916
• Molecular Formular: C18H22N4
• Molecular Mass: 294.39408
• Monoisotopic Mass: 294.18444672
• SMILES: c1(nc2c(n1C)cccc2)CN(C(Cc1ncccc1)C)C
• Canonical SMILES: CN(C(Cc1ccccn1)C)Cc1nc2c(n1C)cccc2
• InChI: InChI=1S/C18H22N4/c1-14(12-15-8-6-7-11-19-15)21(2)13-18-20-16-9-4-5-10-17(16)22(18)3/h4-11,14H,12-13H2,1-3H3
• InChIKey: GBYUCTNYSUYQPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.41116697
• LogD (pH = 7.4): 2.1560924
• Log P: 2.7396035
• Molar Refractivity: 88.7866 cm^3
• Polarizability: 35.826805 Å^3
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.32
• LOG S: -1.02
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 5