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

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

  • Molecular FormulaC30H23N5
  • Average mass453.537 Da
  • Monoisotopic mass453.195343 Da
  • ChemSpider ID23126145

More details:

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

4-{(4-Cyanbenzyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}-2-(1-naphthyl)benzonitril [German] [ACD/IUPAC Name]
4-{(4-Cyanobenzyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}-2-(1-naphthyl)benzonitrile [ACD/IUPAC Name]
4-{(4-Cyanobenzyl)[(1-méthyl-1H-imidazol-5-yl)méthyl]amino}-2-(1-naphtyl)benzonitrile [French] [ACD/IUPAC Name]
4-{(4-cyanobenzyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}-2-(naphthalen-1-yl)benzonitrile
Benzonitrile, 4-[[(4-cyanophenyl)methyl][(1-methyl-1H-imidazol-5-yl)methyl]amino]-2-(1-naphthalenyl)- [ACD/Index Name]
4-[(4-Cyano-benzyl)-(3-methyl-3H-imidazol-4-ylmethyl)-amino]-2-naphthalen-1-yl-benzonitrile
CHEMBL28770

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

Density: 1.2±0.1 g/cm3
Boiling Point: 799.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.3±3.0 kJ/mol
Flash Point: 437.5±32.9 °C
Index of Refraction: 1.649
Molar Refractivity: 142.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.76
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 494.71
ACD/KOC (pH 5.5): 1394.08
ACD/LogD (pH 7.4): 5.29
ACD/BCF (pH 7.4): 5924.11
ACD/KOC (pH 7.4): 16694.04
Polar Surface Area: 69 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 48.6±7.0 dyne/cm
Molar Volume: 391.4±7.0 cm3

Click to predict properties on the Chemicalize site


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