ChemSpider 2D Image | N-Cyclohexyl-4-[4-(3,4-dichlorophenyl)-2-(4-piperidinyl)-1-propyl-1H-imidazol-5-yl]-2-pyrimidinamine | C27H34Cl2N6

N-Cyclohexyl-4-[4-(3,4-dichlorophenyl)-2-(4-piperidinyl)-1-propyl-1H-imidazol-5-yl]-2-pyrimidinamine

  • Molecular FormulaC27H34Cl2N6
  • Average mass513.505 Da
  • Monoisotopic mass512.222229 Da
  • ChemSpider ID394842

More details:

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

2-Pyrimidinamine, N-cyclohexyl-4-[4-(3,4-dichlorophenyl)-2-(4-piperidinyl)-1-propyl-1H-imidazol-5-yl]- [ACD/Index Name]
CYCLOHEXYL-{4-[5-(3,4-DICHLOROPHENYL)-2-PIPERIDIN-4-YL-3-PROPYL-3H-IMIDAZOL-4-YL]-PYRIMIDIN-2-YL}AMINE
N-Cyclohexyl-4-[4-(3,4-dichlorophenyl)-2-(4-piperidinyl)-1-propyl-1H-imidazol-5-yl]-2-pyrimidinamine [ACD/IUPAC Name]
N-Cyclohexyl-4-[4-(3,4-dichlorophényl)-2-(4-pipéridinyl)-1-propyl-1H-imidazol-5-yl]-2-pyrimidinamine [French] [ACD/IUPAC Name]
N-Cyclohexyl-4-[4-(3,4-dichlorphenyl)-2-(4-piperidinyl)-1-propyl-1H-imidazol-5-yl]-2-pyrimidinamin [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL437747/
imidazole-pyrimidine compound 2
Kinome_3484
N-cyclohexyl-4-[4-(3,4-dichlorophenyl)-2-(piperidin-4-yl)-1-propyl-1H-imidazol-5-yl]pyrimidin-2-amine
N-cyclohexyl-4-[5-(3,4-dichlorophenyl)-2-(piperidin-4-yl)-3-propylimidazol-4-yl]pyrimidin-2-amine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 697.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.2±3.0 kJ/mol
Flash Point: 375.7±34.3 °C
Index of Refraction: 1.682
Molar Refractivity: 142.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.14
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 25.92
ACD/KOC (pH 5.5): 47.64
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 129.21
ACD/KOC (pH 7.4): 237.52
Polar Surface Area: 68 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 51.1±7.0 dyne/cm
Molar Volume: 376.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement