ChemSpider 2D Image | Methyl N-[(2-methyl-1H-benzimidazol-1-yl)acetyl]-L-phenylalaninate | C20H21N3O3

Methyl N-[(2-methyl-1H-benzimidazol-1-yl)acetyl]-L-phenylalaninate

  • Molecular FormulaC20H21N3O3
  • Average mass351.399 Da
  • Monoisotopic mass351.158295 Da
  • ChemSpider ID21429305

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

40332-25-0 [RN]
L-Phenylalanine, N-[2-(2-methyl-1H-benzimidazol-1-yl)acetyl]-, methyl ester [ACD/Index Name]
Methyl (2S)-2-{[(2-methyl-1H-benzimidazol-1-yl)acetyl]amino}-3-phenylpropanoate
Methyl N-[(2-methyl-1H-benzimidazol-1-yl)acetyl]-L-phenylalaninate [ACD/IUPAC Name]
Methyl-N-[(2-methyl-1H-benzimidazol-1-yl)acetyl]-L-phenylalaninat [German] [ACD/IUPAC Name]
N-[2-(2-Méthyl-1H-benzimidazol-1-yl)acétyl]-L-phénylalaninate de méthyle [French] [ACD/IUPAC Name]
(S)-methyl 2-(2-(2-methyl-1H-benzo[d]imidazol-1-yl)acetamido)-3-phenylpropanoate
(S)-Methyl-2-(2-(2-methyl-1H-benzo[d]imidazol-1-yl)acetamido)-3-phenylpropanoate
[40332-25-0] [RN]
methyl (2-(2-methyl-1H-benzo[d]imidazol-1-yl)acetyl)-L-phenylalaninate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 596.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 314.6±28.7 °C
Index of Refraction: 1.609
Molar Refractivity: 99.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 71.79
ACD/KOC (pH 5.5): 713.71
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 82.03
ACD/KOC (pH 7.4): 815.46
Polar Surface Area: 73 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 46.0±7.0 dyne/cm
Molar Volume: 288.5±7.0 cm3

Click to predict properties on the Chemicalize site


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