ChemSpider 2D Image | Ethyl 2-[4-(3-amino-1-pyrrolidinyl)phenyl]-1H-benzimidazole-4-carboxylate | C20H22N4O2

Ethyl 2-[4-(3-amino-1-pyrrolidinyl)phenyl]-1H-benzimidazole-4-carboxylate

  • Molecular FormulaC20H22N4O2
  • Average mass350.414 Da
  • Monoisotopic mass350.174286 Da
  • ChemSpider ID24808837

More details:

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

1H-Benzimidazole-4-carboxylic acid, 2-[4-(3-amino-1-pyrrolidinyl)phenyl]-, ethyl ester [ACD/Index Name]
2-[4-(3-Amino-1-pyrrolidinyl)phényl]-1H-benzimidazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 2-[4-(3-amino-1-pyrrolidinyl)phenyl]-1H-benzimidazole-4-carboxylate [ACD/IUPAC Name]
Ethyl-2-[4-(3-amino-1-pyrrolidinyl)phenyl]-1H-benzimidazol-4-carboxylat [German] [ACD/IUPAC Name]
Kinome_1524

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

Density: 1.3±0.1 g/cm3
Boiling Point: 585.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 307.8±32.9 °C
Index of Refraction: 1.653
Molar Refractivity: 101.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.45
ACD/LogD (pH 5.5): -0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 1.94
ACD/KOC (pH 7.4): 23.14
Polar Surface Area: 84 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 58.6±3.0 dyne/cm
Molar Volume: 276.9±3.0 cm3

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