ChemSpider 2D Image | 3-[(2-Bromobenzyl)oxy]-5-[5-(trifluoromethyl)-1H-benzimidazol-1-yl]-2-thiophenecarboxamide | C20H13BrF3N3O2S

3-[(2-Bromobenzyl)oxy]-5-[5-(trifluoromethyl)-1H-benzimidazol-1-yl]-2-thiophenecarboxamide

  • Molecular FormulaC20H13BrF3N3O2S
  • Average mass496.300 Da
  • Monoisotopic mass494.986389 Da
  • ChemSpider ID24698252

More details:

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

2-Thiophenecarboxamide, 3-[(2-bromophenyl)methoxy]-5-[5-(trifluoromethyl)-1H-benzimidazol-1-yl]- [ACD/Index Name]
3-[(2-Brombenzyl)oxy]-5-[5-(trifluormethyl)-1H-benzimidazol-1-yl]-2-thiophencarboxamid [German] [ACD/IUPAC Name]
3-[(2-Bromobenzyl)oxy]-5-[5-(trifluoromethyl)-1H-benzimidazol-1-yl]-2-thiophenecarboxamide [ACD/IUPAC Name]
3-[(2-Bromobenzyl)oxy]-5-[5-(trifluorométhyl)-1H-benzimidazol-1-yl]-2-thiophènecarboxamide [French] [ACD/IUPAC Name]
benzimidazole thiophene analogue, 21
GW853609X
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL480371/

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

Density: 1.7±0.1 g/cm3
Boiling Point: 617.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 327.1±34.3 °C
Index of Refraction: 1.671
Molar Refractivity: 111.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.06
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 955.19
ACD/KOC (pH 5.5): 4728.33
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 955.49
ACD/KOC (pH 7.4): 4729.83
Polar Surface Area: 98 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 52.8±7.0 dyne/cm
Molar Volume: 297.5±7.0 cm3

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