ChemSpider 2D Image | 2-[(3S)-1-(Cyclohexylmethyl)-3-pyrrolidinyl]-5-methyl-1H-benzimidazole | C19H27N3

2-[(3S)-1-(Cyclohexylmethyl)-3-pyrrolidinyl]-5-methyl-1H-benzimidazole

  • Molecular FormulaC19H27N3
  • Average mass297.438 Da
  • Monoisotopic mass297.220490 Da
  • ChemSpider ID29850002

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Benzimidazole, 2-[(3S)-1-(cyclohexylmethyl)-3-pyrrolidinyl]-5-methyl- [ACD/Index Name]
2-[(3S)-1-(Cyclohexylmethyl)-3-pyrrolidinyl]-5-methyl-1H-benzimidazol [German] [ACD/IUPAC Name]
2-[(3S)-1-(Cyclohexylmethyl)-3-pyrrolidinyl]-5-methyl-1H-benzimidazole [ACD/IUPAC Name]
2-[(3S)-1-(Cyclohexylméthyl)-3-pyrrolidinyl]-5-méthyl-1H-benzimidazole [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 501.2±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.0±3.0 kJ/mol
Flash Point: 256.9±28.2 °C
Index of Refraction: 1.608
Molar Refractivity: 92.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.76
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.89
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 17.26
ACD/KOC (pH 7.4): 70.28
Polar Surface Area: 32 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 266.0±3.0 cm3

Click to predict properties on the Chemicalize site


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