ChemSpider 2D Image | 4-[4-(3,4-Dichlorophenyl)-2-(4-piperidinyl)-1-propyl-1H-imidazol-5-yl]-N-[(1R)-1-phenylethyl]-2-pyrimidinamine | C29H32Cl2N6

4-[4-(3,4-Dichlorophenyl)-2-(4-piperidinyl)-1-propyl-1H-imidazol-5-yl]-N-[(1R)-1-phenylethyl]-2-pyrimidinamine

  • Molecular FormulaC29H32Cl2N6
  • Average mass535.511 Da
  • Monoisotopic mass534.206543 Da
  • ChemSpider ID8294983

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Pyrimidinamine, 4-[4-(3,4-dichlorophenyl)-2-(4-piperidinyl)-1-propyl-1H-imidazol-5-yl]-N-[(1R)-1-phenylethyl]- [ACD/Index Name]
4-[4-(3,4-Dichlorophenyl)-2-(4-piperidinyl)-1-propyl-1H-imidazol-5-yl]-N-[(1R)-1-phenylethyl]-2-pyrimidinamine [ACD/IUPAC Name]
4-[4-(3,4-Dichlorophényl)-2-(4-pipéridinyl)-1-propyl-1H-imidazol-5-yl]-N-[(1R)-1-phényléthyl]-2-pyrimidinamine [French] [ACD/IUPAC Name]
4-[4-(3,4-Dichlorphenyl)-2-(4-piperidinyl)-1-propyl-1H-imidazol-5-yl]-N-[(1R)-1-phenylethyl]-2-pyrimidinamin [German] [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: 719.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 389.1±35.7 °C
Index of Refraction: 1.666
Molar Refractivity: 151.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.21
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 29.37
ACD/KOC (pH 5.5): 52.17
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 146.43
ACD/KOC (pH 7.4): 260.06
Polar Surface Area: 68 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 48.6±7.0 dyne/cm
Molar Volume: 407.5±7.0 cm3

Click to predict properties on the Chemicalize site


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