ChemSpider 2D Image | 4-[({[1-(4-Cyanobenzyl)-1H-imidazol-5-yl]methyl}amino)methyl]-2-(1-naphthyl)benzonitrile | C30H23N5

4-[({[1-(4-Cyanobenzyl)-1H-imidazol-5-yl]methyl}amino)methyl]-2-(1-naphthyl)benzonitrile

  • Molecular FormulaC30H23N5
  • Average mass453.537 Da
  • Monoisotopic mass453.195343 Da
  • ChemSpider ID23250982

More details:

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

4-[({[1-(4-Cyanbenzyl)-1H-imidazol-5-yl]methyl}amino)methyl]-2-(1-naphthyl)benzonitril [German] [ACD/IUPAC Name]
4-[({[1-(4-Cyanobenzyl)-1H-imidazol-5-yl]methyl}amino)methyl]-2-(1-naphthyl)benzonitrile [ACD/IUPAC Name]
4-[({[1-(4-Cyanobenzyl)-1H-imidazol-5-yl]méthyl}amino)méthyl]-2-(1-naphtyl)benzonitrile [French] [ACD/IUPAC Name]
4-[({[1-(4-cyanobenzyl)-1H-imidazol-5-yl]methyl}amino)methyl]-2-(naphthalen-1-yl)benzonitrile
Benzonitrile, 4-[[[[1-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl]methyl]amino]methyl]-2-(1-naphthalenyl)- [ACD/Index Name]
4-({[3-(4-Cyano-benzyl)-3H-imidazol-4-ylmethyl]-amino}-methyl)-2-naphthalen-1-yl-benzonitrile
CHEMBL184044

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

Density: 1.2±0.1 g/cm3
Boiling Point: 722.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 390.7±32.9 °C
Index of Refraction: 1.656
Molar Refractivity: 142.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.40
ACD/LogD (pH 5.5): 2.31
ACD/BCF (pH 5.5): 8.82
ACD/KOC (pH 5.5): 33.86
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 697.99
ACD/KOC (pH 7.4): 2678.78
Polar Surface Area: 77 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 49.9±7.0 dyne/cm
Molar Volume: 386.2±7.0 cm3

Click to predict properties on the Chemicalize site


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