2-(1-methyl-1H-imidazol-2-yl)-N-[2-(1-methylpiperidin-3-yl)ethyl]benzamide

• ChemBase ID: 788785
• Molecular Formular: C19H26N4O
• Molecular Mass: 326.43594
• Monoisotopic Mass: 326.21066147
• SMILES: c1(c2c(C(=O)NCCC3CN(CCC3)C)cccc2)n(ccn1)C
• Canonical SMILES: CN1CCCC(C1)CCNC(=O)c1ccccc1c1nccn1C
• InChI: InChI=1S/C19H26N4O/c1-22-12-5-6-15(14-22)9-10-21-19(24)17-8-4-3-7-16(17)18-20-11-13-23(18)2/h3-4,7-8,11,13,15H,5-6,9-10,12,14H2,1-2H3,(H,21,24)
• InChIKey: NXFZOCZMXANLDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-methyl-1H-imidazol-2-yl)-N-[2-(1-methylpiperidin-3-yl)ethyl]benzamide
• IUPAC Traditional name: 2-(1-methylimidazol-2-yl)-N-[2-(1-methylpiperidin-3-yl)ethyl]benzamide
• Synonyms: 2-(1-methyl-1H-imidazol-2-yl)-N-[2-(1-methylpiperidin-3-yl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.064291
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7418648
• LogD (pH = 7.4): 0.094203
• Log P: 2.109514
• Molar Refractivity: 107.8563 cm^3
• Polarizability: 37.54259 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.82
• LOG S: -2.28
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 5