ChemSpider 2D Image | N-Benzyl-1-[2-(isopropylsulfonyl)-1-(3-methylbutyl)-1H-imidazol-5-yl]-N-methylmethanamine | C20H31N3O2S

N-Benzyl-1-[2-(isopropylsulfonyl)-1-(3-methylbutyl)-1H-imidazol-5-yl]-N-methylmethanamine

  • Molecular FormulaC20H31N3O2S
  • Average mass377.544 Da
  • Monoisotopic mass377.213684 Da
  • ChemSpider ID22149214

More details:

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

1H-Imidazole-5-methanamine, N-methyl-1-(3-methylbutyl)-2-[(1-methylethyl)sulfonyl]-N-(phenylmethyl)- [ACD/Index Name]
N-Benzyl-1-[2-(isopropylsulfonyl)-1-(3-methylbutyl)-1H-imidazol-5-yl]-N-methylmethanamin [German] [ACD/IUPAC Name]
N-Benzyl-1-[2-(isopropylsulfonyl)-1-(3-methylbutyl)-1H-imidazol-5-yl]-N-methylmethanamine [ACD/IUPAC Name]
N-Benzyl-1-[2-(isopropylsulfonyl)-1-(3-méthylbutyl)-1H-imidazol-5-yl]-N-méthylméthanamine [French] [ACD/IUPAC Name]
BENZYL(METHYL){[1-(3-METHYLBUTYL)-2-(PROPANE-2-SULFONYL)-1H-IMIDAZOL-5-YL]METHYL}AMINE
BENZYL(METHYL){[3-(3-METHYLBUTYL)-2-(PROPANE-2-SULFONYL)IMIDAZOL-4-YL]METHYL}AMINE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 496.1±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.4±3.0 kJ/mol
Flash Point: 253.8±26.5 °C
Index of Refraction: 1.557
Molar Refractivity: 109.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 6.62
ACD/KOC (pH 5.5): 41.32
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 231.04
ACD/KOC (pH 7.4): 1441.07
Polar Surface Area: 64 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 38.9±7.0 dyne/cm
Molar Volume: 339.7±7.0 cm3

Click to predict properties on the Chemicalize site


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