ChemSpider 2D Image | Bis-Imidazole phenol IDH1 inhibitor | C22H30N4O

Bis-Imidazole phenol IDH1 inhibitor

  • Molecular FormulaC22H30N4O
  • Average mass366.500 Da
  • Monoisotopic mass366.241974 Da
  • ChemSpider ID35034532

More details:

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

1648909-73-2 [RN]
2,6-Bis((1H-Imidazol-1-yl)methyl)-4-(2,4,4-trimethylpentan-2-yl)phenol
2,6-Bis(1H-imidazol-1-ylmethyl)-4-(2,4,4-trimethyl-2-pentanyl)phenol [German] [ACD/IUPAC Name]
2,6-Bis(1H-imidazol-1-ylmethyl)-4-(2,4,4-trimethyl-2-pentanyl)phenol [ACD/IUPAC Name]
2,6-Bis(1H-imidazol-1-ylméthyl)-4-(2,4,4-triméthyl-2-pentanyl)phénol [French] [ACD/IUPAC Name]
2,6-Bis(1h-Imidazol-1-Ylmethyl)-4-(2,4,4-Trimethylpentan-2-Yl)phenol
Bis-Imidazole phenol IDH1 inhibitor
Phenol, 2,6-bis(1H-imidazol-1-ylmethyl)-4-(1,1,3,3-tetramethylbutyl)- [ACD/Index Name]
VVS

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

Density: 1.1±0.1 g/cm3
Boiling Point: 549.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.1±3.0 kJ/mol
Flash Point: 286.2±28.7 °C
Index of Refraction: 1.577
Molar Refractivity: 111.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 2.75
ACD/KOC (pH 5.5): 16.85
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 333.09
ACD/KOC (pH 7.4): 2041.39
Polar Surface Area: 56 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 40.1±7.0 dyne/cm
Molar Volume: 335.8±7.0 cm3

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