ChemSpider 2D Image | cis-N-[(5-Chloro-2,3-dihydro-1H-inden-2-yl)methyl]-4-(2,5-dimethyl-1H-benzimidazol-1-yl)cyclohexanamine | C25H30ClN3

cis-N-[(5-Chloro-2,3-dihydro-1H-inden-2-yl)methyl]-4-(2,5-dimethyl-1H-benzimidazol-1-yl)cyclohexanamine

  • Molecular FormulaC25H30ClN3
  • Average mass407.979 Da
  • Monoisotopic mass407.212830 Da
  • ChemSpider ID30826666

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

1H-Indene-2-methanamine, 5-chloro-N-[cis-4-(2,5-dimethyl-1H-benzimidazol-1-yl)cyclohexyl]-2,3-dihydro- [ACD/Index Name]
cis-N-[(5-Chlor-2,3-dihydro-1H-inden-2-yl)methyl]-4-(2,5-dimethyl-1H-benzimidazol-1-yl)cyclohexanamin [German] [ACD/IUPAC Name]
cis-N-[(5-Chloro-2,3-dihydro-1H-inden-2-yl)methyl]-4-(2,5-dimethyl-1H-benzimidazol-1-yl)cyclohexanamine [ACD/IUPAC Name]
cis-N-[(5-Chloro-2,3-dihydro-1H-indén-2-yl)méthyl]-4-(2,5-diméthyl-1H-benzimidazol-1-yl)cyclohexanamine [French] [ACD/IUPAC 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: 590.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 310.9±30.1 °C
Index of Refraction: 1.668
Molar Refractivity: 119.3±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.42
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 4.21
ACD/KOC (pH 5.5): 8.06
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 43.23
ACD/KOC (pH 7.4): 82.72
Polar Surface Area: 30 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 45.9±7.0 dyne/cm
Molar Volume: 320.0±7.0 cm3

Click to predict properties on the Chemicalize site


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