ChemSpider 2D Image | 4-Amino-2-(1H-benzimidazol-2-ylamino)-6-(2,4-dichlorophenyl)-5-pyrimidinecarbonitrile | C18H11Cl2N7

4-Amino-2-(1H-benzimidazol-2-ylamino)-6-(2,4-dichlorophenyl)-5-pyrimidinecarbonitrile

  • Molecular FormulaC18H11Cl2N7
  • Average mass396.233 Da
  • Monoisotopic mass395.045288 Da
  • ChemSpider ID32768605

More details:

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

4-Amino-2-(1H-benzimidazol-2-ylamino)-6-(2,4-dichlorophenyl)-5-pyrimidinecarbonitrile [ACD/IUPAC Name]
4-Amino-2-(1H-benzimidazol-2-ylamino)-6-(2,4-dichlorophényl)-5-pyrimidinecarbonitrile [French] [ACD/IUPAC Name]
4-Amino-2-(1H-benzimidazol-2-ylamino)-6-(2,4-dichlorphenyl)-5-pyrimidincarbonitril [German] [ACD/IUPAC Name]
5-Pyrimidinecarbonitrile, 4-amino-2-(1H-benzimidazol-2-ylamino)-6-(2,4-dichlorophenyl)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 739.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 400.9±35.7 °C
Index of Refraction: 1.784
Molar Refractivity: 102.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 231.55
ACD/KOC (pH 5.5): 1561.34
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 320.44
ACD/KOC (pH 7.4): 2160.71
Polar Surface Area: 116 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 105.4±5.0 dyne/cm
Molar Volume: 243.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement