N-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-2,3,5,6-tetramethylbenzamide

• ChemBase ID: 835543
• Molecular Formular: C18H25N3O2
• Molecular Mass: 315.41
• Monoisotopic Mass: 315.19467706
• SMILES: c1(C(=O)NCc2n(cnc2)CCOC)c(c(cc(c1C)C)C)C
• Canonical SMILES: COCCn1cncc1CNC(=O)c1c(C)c(C)cc(c1C)C
• InChI: InChI=1S/C18H25N3O2/c1-12-8-13(2)15(4)17(14(12)3)18(22)20-10-16-9-19-11-21(16)6-7-23-5/h8-9,11H,6-7,10H2,1-5H3,(H,20,22)
• InChIKey: NGNWHGDZKNBLMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-2,3,5,6-tetramethylbenzamide
• IUPAC Traditional name: N-{[3-(2-methoxyethyl)imidazol-4-yl]methyl}-2,3,5,6-tetramethylbenzamide
• Synonyms: N-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-2,3,5,6-tetramethylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.745799
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.3319542
• LogD (pH = 7.4): 2.7725015
• Log P: 2.8039525
• Molar Refractivity: 93.583 cm^3
• Polarizability: 34.601536 Å^3
• Polar Surface Area: 56.15 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: 1.73
• LOG S: -2.98
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 6