ChemSpider 2D Image | (5R)-5-[(1-Methyl-1H-indol-3-yl)carbonyl]-4,5,6,7-tetrahydro-1H-benzimidazol-1-ium | C17H18N3O

(5R)-5-[(1-Methyl-1H-indol-3-yl)carbonyl]-4,5,6,7-tetrahydro-1H-benzimidazol-1-ium

  • Molecular FormulaC17H18N3O
  • Average mass280.344 Da
  • Monoisotopic mass280.144440 Da
  • ChemSpider ID21259489

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5R)-5-[(1-Methyl-1H-indol-3-yl)carbonyl]-4,5,6,7-tetrahydro-1H-benzimidazol-1-ium [ACD/IUPAC Name]
(5R)-5-[(1-Methyl-1H-indol-3-yl)carbonyl]-4,5,6,7-tetrahydro-1H-benzimidazol-1-ium [German] [ACD/IUPAC Name]
(5R)-5-[(1-Méthyl-1H-indol-3-yl)carbonyl]-4,5,6,7-tétrahydro-1H-benzimidazol-1-ium [French] [ACD/IUPAC Name]
Methanone, (1-methyl-1H-indol-3-yl)[(6R)-4,5,6,7-tetrahydro-1H-benzimidazol-6-yl]-, conjugate monoacid [ACD/Index Name]

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

Density:
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:
Molar Refractivity:
#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: 52 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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