ChemSpider 2D Image | 6-[(S)-1H-Imidazol-1-yl(phenyl)methyl]-2-methyl-1H-benzimidazole | C18H16N4

6-[(S)-1H-Imidazol-1-yl(phenyl)methyl]-2-methyl-1H-benzimidazole

  • Molecular FormulaC18H16N4
  • Average mass288.346 Da
  • Monoisotopic mass288.137512 Da
  • ChemSpider ID34989120

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Benzimidazole, 6-[(S)-1H-imidazol-1-ylphenylmethyl]-2-methyl- [ACD/Index Name]
6-[(S)-1H-Imidazol-1-yl(phenyl)methyl]-2-methyl-1H-benzimidazol [German] [ACD/IUPAC Name]
6-[(S)-1H-Imidazol-1-yl(phenyl)methyl]-2-methyl-1H-benzimidazole [ACD/IUPAC Name]
6-[(S)-1H-Imidazol-1-yl(phényl)méthyl]-2-méthyl-1H-benzimidazole [French] [ACD/IUPAC Name]
115574-30-6 [RN]
irtemazole
UNII-AAK27WY74I

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

Density: 1.2±0.1 g/cm3
Boiling Point: 554.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 288.9±25.9 °C
Index of Refraction: 1.684
Molar Refractivity: 88.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 2.44
ACD/KOC (pH 5.5): 22.71
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 88.70
ACD/KOC (pH 7.4): 824.14
Polar Surface Area: 47 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 49.4±7.0 dyne/cm
Molar Volume: 232.4±7.0 cm3

Click to predict properties on the Chemicalize site


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