ChemSpider 2D Image | [1-(~2~H_3_)Methyl-1H-indol-3-yl][(5R)-4,5,6,7-tetrahydro-1H-benzimidazol-5-yl]methanone | C17H14D3N3O

[1-(2H3)Methyl-1H-indol-3-yl][(5R)-4,5,6,7-tetrahydro-1H-benzimidazol-5-yl]methanone

  • Molecular FormulaC17H14D3N3O
  • Average mass282.355 Da
  • Monoisotopic mass282.156006 Da
  • ChemSpider ID114392648

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

[1-(2H3)Methyl-1H-indol-3-yl][(5R)-4,5,6,7-tetrahydro-1H-benzimidazol-5-yl]methanon [German] [ACD/IUPAC Name]
[1-(2H3)Methyl-1H-indol-3-yl][(5R)-4,5,6,7-tetrahydro-1H-benzimidazol-5-yl]methanone [ACD/IUPAC Name]
[1-(2H3)Méthyl-1H-indol-3-yl][(5R)-4,5,6,7-tétrahydro-1H-benzimidazol-5-yl]méthanone [French] [ACD/IUPAC Name]
Methanone, [1-(methyl-d3)-1H-indol-3-yl][(5R)-4,5,6,7-tetrahydro-1H-benzimidazol-5-yl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 579.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 304.4±30.1 °C
Index of Refraction: 1.708
Molar Refractivity: 81.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.99
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 1.06
ACD/KOC (pH 5.5): 10.16
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 37.45
ACD/KOC (pH 7.4): 357.47
Polar Surface Area: 51 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 52.9±7.0 dyne/cm
Molar Volume: 208.8±7.0 cm3

Click to predict properties on the Chemicalize site


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