ChemSpider 2D Image | 1-{1-[2-(4-Chlorophenyl)-2-oxoethyl]-4-piperidinyl}-2-oxo-2,3-dihydro-1H-benzimidazole-5-carbonitrile | C21H19ClN4O2

1-{1-[2-(4-Chlorophenyl)-2-oxoethyl]-4-piperidinyl}-2-oxo-2,3-dihydro-1H-benzimidazole-5-carbonitrile

  • Molecular FormulaC21H19ClN4O2
  • Average mass394.854 Da
  • Monoisotopic mass394.119659 Da
  • ChemSpider ID28535096

More details:






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

1-{1-[2-(4-Chlorophenyl)-2-oxoethyl]-4-piperidinyl}-2-oxo-2,3-dihydro-1H-benzimidazole-5-carbonitrile [ACD/IUPAC Name]
1-{1-[2-(4-Chlorophényl)-2-oxoéthyl]-4-pipéridinyl}-2-oxo-2,3-dihydro-1H-benzimidazole-5-carbonitrile [French] [ACD/IUPAC Name]
1-{1-[2-(4-Chlorphenyl)-2-oxoethyl]-4-piperidinyl}-2-oxo-2,3-dihydro-1H-benzimidazol-5-carbonitril [German] [ACD/IUPAC Name]
1H-Benzimidazole-5-carbonitrile, 1-[1-[2-(4-chlorophenyl)-2-oxoethyl]-4-piperidinyl]-2,3-dihydro-2-oxo- [ACD/Index Name]
[1037835-42-9] [RN]
1-(1-(2-(4-Chlorophenyl)-2-oxoethyl)piperidin-4-yl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazole-5-carbonitrile
1-[1-[2-(4-chlorophenyl)-2-oxoethyl]piperidin-4-yl]-2-oxo-3H-benzimidazole-5-carbonitrile
1-{1-[2-(4-Chlorophenyl)-2-oxoethyl]piperidin-4-yl}-2-oxo-2,3-dihydro-1H-benzimidazole-5-carbonitrile
1037835-42-9 [RN]
MFCD22419952 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.683
Molar Refractivity: 105.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.75
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 120.09
ACD/KOC (pH 5.5): 651.91
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 651.45
ACD/KOC (pH 7.4): 3536.28
Polar Surface Area: 76 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 72.4±5.0 dyne/cm
Molar Volume: 278.1±5.0 cm3

Click to predict properties on the Chemicalize site






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