ChemSpider 2D Image | 1-[(4-Methyl-1H-imidazol-5-yl)methyl]-4-[4-(2-methyl-2-propanyl)benzyl]-2-(2-phenylethyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine | C33H40N4

1-[(4-Methyl-1H-imidazol-5-yl)methyl]-4-[4-(2-methyl-2-propanyl)benzyl]-2-(2-phenylethyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine

  • Molecular FormulaC33H40N4
  • Average mass492.698 Da
  • Monoisotopic mass492.325287 Da
  • ChemSpider ID23108579

More details:

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

1-[(4-Methyl-1H-imidazol-5-yl)methyl]-4-[4-(2-methyl-2-propanyl)benzyl]-2-(2-phenylethyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin [German] [ACD/IUPAC Name]
1-[(4-Methyl-1H-imidazol-5-yl)methyl]-4-[4-(2-methyl-2-propanyl)benzyl]-2-(2-phenylethyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine [ACD/IUPAC Name]
1-[(4-Méthyl-1H-imidazol-5-yl)méthyl]-4-[4-(2-méthyl-2-propanyl)benzyl]-2-(2-phényléthyl)-2,3,4,5-tétrahydro-1H-1,4-benzodiazépine [French] [ACD/IUPAC Name]
1H-1,4-Benzodiazepine, 4-[[4-(1,1-dimethylethyl)phenyl]methyl]-2,3,4,5-tetrahydro-1-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(2-phenylethyl)- [ACD/Index Name]
4-(4-tert-Butyl-benzyl)-1-(5-methyl-3H-imidazol-4-ylmethyl)-2-phenethyl-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine
4-(4-tert-butylbenzyl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(2-phenylethyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine

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

Density: 1.1±0.1 g/cm3
Boiling Point: 678.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 363.8±31.5 °C
Index of Refraction: 1.605
Molar Refractivity: 153.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 7.11
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 62.38
ACD/KOC (pH 5.5): 92.00
ACD/LogD (pH 7.4): 6.29
ACD/BCF (pH 7.4): 29057.21
ACD/KOC (pH 7.4): 42854.10
Polar Surface Area: 35 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 445.5±3.0 cm3

Click to predict properties on the Chemicalize site


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