ChemSpider 2D Image | 1-(3-Chlorophenyl)-N-{[1-ethyl-5-(1-piperidinylsulfonyl)-1H-benzimidazol-2-yl]methyl}-N-methylmethanamine | C23H29ClN4O2S

1-(3-Chlorophenyl)-N-{[1-ethyl-5-(1-piperidinylsulfonyl)-1H-benzimidazol-2-yl]methyl}-N-methylmethanamine

  • Molecular FormulaC23H29ClN4O2S
  • Average mass461.020 Da
  • Monoisotopic mass460.169983 Da
  • ChemSpider ID21943953

More details:

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

1-(3-Chlorophenyl)-N-{[1-ethyl-5-(1-piperidinylsulfonyl)-1H-benzimidazol-2-yl]methyl}-N-methylmethanamine [ACD/IUPAC Name]
1-(3-Chlorophényl)-N-{[1-éthyl-5-(1-pipéridinylsulfonyl)-1H-benzimidazol-2-yl]méthyl}-N-méthylméthanamine [French] [ACD/IUPAC Name]
1-(3-Chlorphenyl)-N-{[1-ethyl-5-(1-piperidinylsulfonyl)-1H-benzimidazol-2-yl]methyl}-N-methylmethanamin [German] [ACD/IUPAC Name]
1H-Benzimidazole-2-methanamine, N-[(3-chlorophenyl)methyl]-1-ethyl-N-methyl-5-(1-piperidinylsulfonyl)- [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: 621.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 329.4±34.3 °C
Index of Refraction: 1.639
Molar Refractivity: 127.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.32
ACD/LogD (pH 5.5): 3.95
ACD/BCF (pH 5.5): 343.98
ACD/KOC (pH 5.5): 1199.04
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 2962.40
ACD/KOC (pH 7.4): 10326.24
Polar Surface Area: 67 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 50.1±7.0 dyne/cm
Molar Volume: 353.5±7.0 cm3

Click to predict properties on the Chemicalize site


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