2-({1-[(2-ethyl-4-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl}oxy)-4-methoxy-N-(2-methoxyethyl)benzamide

• ChemBase ID: 512636
• Molecular Formular: C23H34N4O4
• Molecular Mass: 430.54046
• Monoisotopic Mass: 430.25800559
• SMILES: c1([nH]c(nc1C)CC)CN1CCC(Oc2c(C(=O)NCCOC)ccc(c2)OC)CC1
• Canonical SMILES: COCCNC(=O)c1ccc(cc1OC1CCN(CC1)Cc1[nH]c(nc1C)CC)OC
• InChI: InChI=1S/C23H34N4O4/c1-5-22-25-16(2)20(26-22)15-27-11-8-17(9-12-27)31-21-14-18(30-4)6-7-19(21)23(28)24-10-13-29-3/h6-7,14,17H,5,8-13,15H2,1-4H3,(H,24,28)(H,25,26)
• InChIKey: MDOLDRKTSOXHQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({1-[(2-ethyl-4-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl}oxy)-4-methoxy-N-(2-methoxyethyl)benzamide
• IUPAC Traditional name: 2-({1-[(2-ethyl-5-methyl-3H-imidazol-4-yl)methyl]piperidin-4-yl}oxy)-4-methoxy-N-(2-methoxyethyl)benzamide
• Synonyms: 2-({1-[(2-ethyl-4-methyl-1H-imidazol-5-yl)methyl]-4-piperidinyl}oxy)-4-methoxy-N-(2-methoxyethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.010041
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -1.32653
• LogD (pH = 7.4): 0.72647965
• Log P: 1.1930252
• Molar Refractivity: 120.5581 cm^3
• Polarizability: 46.21131 Å^3
• Polar Surface Area: 88.71 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 1.77
• LOG S: -4.48
• Polar Surface Area: 88.71 Å^2
• Rotatable Bonds: 7