ChemSpider 2D Image | 5-Methoxy-2-[(3S)-1-(1-methyl-4-piperidinyl)-3-pyrrolidinyl]-1H-benzimidazole | C18H26N4O

5-Methoxy-2-[(3S)-1-(1-methyl-4-piperidinyl)-3-pyrrolidinyl]-1H-benzimidazole

  • Molecular FormulaC18H26N4O
  • Average mass314.425 Da
  • Monoisotopic mass314.210663 Da
  • ChemSpider ID29850112

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Benzimidazole, 5-methoxy-2-[(3S)-1-(1-methyl-4-piperidinyl)-3-pyrrolidinyl]- [ACD/Index Name]
5-Methoxy-2-[(3S)-1-(1-methyl-4-piperidinyl)-3-pyrrolidinyl]-1H-benzimidazol [German] [ACD/IUPAC Name]
5-Methoxy-2-[(3S)-1-(1-methyl-4-piperidinyl)-3-pyrrolidinyl]-1H-benzimidazole [ACD/IUPAC Name]
5-Méthoxy-2-[(3S)-1-(1-méthyl-4-pipéridinyl)-3-pyrrolidinyl]-1H-benzimidazole [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 513.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±3.0 kJ/mol
Flash Point: 264.1±30.1 °C
Index of Refraction: 1.619
Molar Refractivity: 92.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.72
ACD/LogD (pH 5.5): -1.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.30
Polar Surface Area: 44 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 264.8±3.0 cm3

Click to predict properties on the Chemicalize site


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