ChemSpider 2D Image | 2-[({3-Methyl-4-[(~2~H_3_)methyloxy]-2-pyridinyl}methyl)sulfinyl]-6-(1H-pyrrol-1-yl)-1H-benzimidazole | C19H15D3N4O2S

2-[({3-Methyl-4-[(2H3)methyloxy]-2-pyridinyl}methyl)sulfinyl]-6-(1H-pyrrol-1-yl)-1H-benzimidazole

  • Molecular FormulaC19H15D3N4O2S
  • Average mass369.455 Da
  • Monoisotopic mass369.133881 Da
  • ChemSpider ID107433662

  • Non-standard isotope - Non-standard isotope

More details:

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

1H-Benzimidazole, 2-[[[3-methyl-4-(methyl-d3-oxy)-2-pyridinyl]methyl]sulfinyl]-6-(1H-pyrrol-1-yl)- [ACD/Index Name]
2-[({3-Methyl-4-[(2H3)methyloxy]-2-pyridinyl}methyl)sulfinyl]-6-(1H-pyrrol-1-yl)-1H-benzimidazol [German] [ACD/IUPAC Name]
2-[({3-Methyl-4-[(2H3)methyloxy]-2-pyridinyl}methyl)sulfinyl]-6-(1H-pyrrol-1-yl)-1H-benzimidazole [ACD/IUPAC Name]
2-[({3-Méthyl-4-[(2H3)méthyloxy]-2-pyridinyl}méthyl)sulfinyl]-6-(1H-pyrrol-1-yl)-1H-benzimidazole [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 651.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 347.5±34.3 °C
Index of Refraction: 1.710
Molar Refractivity: 102.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 26.53
ACD/KOC (pH 5.5): 356.36
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 24.24
ACD/KOC (pH 7.4): 325.61
Polar Surface Area: 92 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 59.9±7.0 dyne/cm
Molar Volume: 263.1±7.0 cm3

Click to predict properties on the Chemicalize site


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