ChemSpider 2D Image | 1-{1-[2-(1-{[4-(Trifluoromethoxy)phenyl]sulfonyl}-4-piperidinyl)ethyl]-4-piperidinyl}-1,3-dihydro-2H-benzimidazol-2-one | C26H31F3N4O4S

1-{1-[2-(1-{[4-(Trifluoromethoxy)phenyl]sulfonyl}-4-piperidinyl)ethyl]-4-piperidinyl}-1,3-dihydro-2H-benzimidazol-2-one

  • Molecular FormulaC26H31F3N4O4S
  • Average mass552.609 Da
  • Monoisotopic mass552.201782 Da
  • ChemSpider ID8295651

More details:

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

1-{1-[2-(1-{[4-(Trifluormethoxy)phenyl]sulfonyl}-4-piperidinyl)ethyl]-4-piperidinyl}-1,3-dihydro-2H-benzimidazol-2-on [German] [ACD/IUPAC Name]
1-{1-[2-(1-{[4-(Trifluoromethoxy)phenyl]sulfonyl}-4-piperidinyl)ethyl]-4-piperidinyl}-1,3-dihydro-2H-benzimidazol-2-one [ACD/IUPAC Name]
1-{1-[2-(1-{[4-(Trifluorométhoxy)phényl]sulfonyl}-4-pipéridinyl)éthyl]-4-pipéridinyl}-1,3-dihydro-2H-benzimidazol-2-one [French] [ACD/IUPAC Name]
2H-Benzimidazol-2-one, 1,3-dihydro-1-[1-[2-[1-[[4-(trifluoromethoxy)phenyl]sulfonyl]-4-piperidinyl]ethyl]-4-piperidinyl]- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.576
Molar Refractivity: 136.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.12
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 4.03
ACD/KOC (pH 5.5): 14.24
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 120.12
ACD/KOC (pH 7.4): 423.86
Polar Surface Area: 91 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 412.1±3.0 cm3

Click to predict properties on the Chemicalize site


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