2-methoxy-5-[2-(pyridin-4-yl)-1H-imidazol-1-yl]benzamide

• ChemBase ID: 522825
• Molecular Formular: C16H14N4O2
• Molecular Mass: 294.30796
• Monoisotopic Mass: 294.11167571
• SMILES: n1(c(ncc1)c1ccncc1)c1cc(C(=O)N)c(cc1)OC
• Canonical SMILES: COc1ccc(cc1C(=O)N)n1ccnc1c1ccncc1
• InChI: InChI=1S/C16H14N4O2/c1-22-14-3-2-12(10-13(14)15(17)21)20-9-8-19-16(20)11-4-6-18-7-5-11/h2-10H,1H3,(H2,17,21)
• InChIKey: CIPKCHFVXNYLKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-5-[2-(pyridin-4-yl)-1H-imidazol-1-yl]benzamide
• IUPAC Traditional name: 2-methoxy-5-[2-(pyridin-4-yl)imidazol-1-yl]benzamide
• Synonyms: 2-methoxy-5-(2-pyridin-4-yl-1H-imidazol-1-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.862013
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.8332894
• LogD (pH = 7.4): 1.2272305
• Log P: 1.2364771
• Molar Refractivity: 102.4927 cm^3
• Polarizability: 32.130222 Å^3
• Polar Surface Area: 83.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.81
• LOG S: -2.89
• Polar Surface Area: 83.03 Å^2
• Rotatable Bonds: 4