ChemSpider 2D Image | 5-(1H-Benzimidazol-1-yl)-3-[(2-bromobenzyl)oxy]-2-thiophenecarboxamide | C19H14BrN3O2S

5-(1H-Benzimidazol-1-yl)-3-[(2-bromobenzyl)oxy]-2-thiophenecarboxamide

  • Molecular FormulaC19H14BrN3O2S
  • Average mass428.302 Da
  • Monoisotopic mass426.998993 Da
  • ChemSpider ID24717480

More details:

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

2-Thiophenecarboxamide, 5-(1H-benzimidazol-1-yl)-3-[(2-bromophenyl)methoxy]- [ACD/Index Name]
5-(1H-Benzimidazol-1-yl)-3-[(2-brombenzyl)oxy]-2-thiophencarboxamid [German] [ACD/IUPAC Name]
5-(1H-Benzimidazol-1-yl)-3-[(2-bromobenzyl)oxy]-2-thiophenecarboxamide [ACD/IUPAC Name]
5-(1H-Benzimidazol-1-yl)-3-[(2-bromobenzyl)oxy]-2-thiophènecarboxamide [French] [ACD/IUPAC Name]
benzimidazole thiophene analogue, 17
GSK1023156A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL518953/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 619.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 328.4±34.3 °C
Index of Refraction: 1.727
Molar Refractivity: 106.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 280.04
ACD/KOC (pH 5.5): 1961.66
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 281.61
ACD/KOC (pH 7.4): 1972.67
Polar Surface Area: 98 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 61.1±7.0 dyne/cm
Molar Volume: 267.5±7.0 cm3

Click to predict properties on the Chemicalize site


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