ChemSpider 2D Image | Methyl 5-(5,6-dimethoxy-1H-benzimidazol-1-yl)-3-{[2-(trifluoromethyl)benzyl]oxy}-2-thiophenecarboxylate | C23H19F3N2O5S

Methyl 5-(5,6-dimethoxy-1H-benzimidazol-1-yl)-3-{[2-(trifluoromethyl)benzyl]oxy}-2-thiophenecarboxylate

  • Molecular FormulaC23H19F3N2O5S
  • Average mass492.468 Da
  • Monoisotopic mass492.096680 Da
  • ChemSpider ID24695553

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-Thiophenecarboxylic acid, 5-(5,6-dimethoxy-1H-benzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]-, methyl ester [ACD/Index Name]
5-(5,6-Diméthoxy-1H-benzimidazol-1-yl)-3-{[2-(trifluorométhyl)benzyl]oxy}-2-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-(5,6-dimethoxy-1H-benzimidazol-1-yl)-3-{[2-(trifluoromethyl)benzyl]oxy}-2-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-5-(5,6-dimethoxy-1H-benzimidazol-1-yl)-3-{[2-(trifluormethyl)benzyl]oxy}-2-thiophencarboxylat [German] [ACD/IUPAC Name]
660868-83-7 [RN]
benzimidazole thiophene analogue, 51
GSK1030058A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL473420/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 618.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.7±3.0 kJ/mol
Flash Point: 327.9±34.3 °C
Index of Refraction: 1.590
Molar Refractivity: 119.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.02
ACD/LogD (pH 5.5): 4.55
ACD/BCF (pH 5.5): 1676.15
ACD/KOC (pH 5.5): 7060.07
ACD/LogD (pH 7.4): 4.55
ACD/BCF (pH 7.4): 1686.24
ACD/KOC (pH 7.4): 7102.60
Polar Surface Area: 100 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 42.5±7.0 dyne/cm
Molar Volume: 353.1±7.0 cm3

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