ChemSpider 2D Image | N-(Cyclohexylmethyl)-6-[(2S)-2-(5,6-dichloro-1H-benzimidazol-2-yl)-1-pyrrolidinyl]-4-pyrimidinamine | C22H26Cl2N6

N-(Cyclohexylmethyl)-6-[(2S)-2-(5,6-dichloro-1H-benzimidazol-2-yl)-1-pyrrolidinyl]-4-pyrimidinamine

  • Molecular FormulaC22H26Cl2N6
  • Average mass445.388 Da
  • Monoisotopic mass444.159607 Da
  • ChemSpider ID28489843

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-Pyrimidinamine, N-(cyclohexylmethyl)-6-[(2S)-2-(5,6-dichloro-1H-benzimidazol-2-yl)-1-pyrrolidinyl]- [ACD/Index Name]
N-(Cyclohexylmethyl)-6-[(2S)-2-(5,6-dichlor-1H-benzimidazol-2-yl)-1-pyrrolidinyl]-4-pyrimidinamin [German] [ACD/IUPAC Name]
N-(Cyclohexylmethyl)-6-[(2S)-2-(5,6-dichloro-1H-benzimidazol-2-yl)-1-pyrrolidinyl]-4-pyrimidinamine [ACD/IUPAC Name]
N-(Cyclohexylméthyl)-6-[(2S)-2-(5,6-dichloro-1H-benzimidazol-2-yl)-1-pyrrolidinyl]-4-pyrimidinamine [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 724.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.7±3.0 kJ/mol
Flash Point: 391.7±32.9 °C
Index of Refraction: 1.675
Molar Refractivity: 122.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.25
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 984.31
ACD/KOC (pH 5.5): 2366.38
ACD/LogD (pH 7.4): 5.61
ACD/BCF (pH 7.4): 10359.29
ACD/KOC (pH 7.4): 24904.86
Polar Surface Area: 70 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 67.6±3.0 dyne/cm
Molar Volume: 326.1±3.0 cm3

Click to predict properties on the Chemicalize site


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