Benzonitrile,4-(4,5-dihydro-1H-imidazol-2-yl)-

Modify Date: 2024-01-06 13:04:37

Benzonitrile,4-(4,5-dihydro-1H-imidazol-2-yl)- Structure
Benzonitrile,4-(4,5-dihydro-1H-imidazol-2-yl)- structure
Common Name Benzonitrile,4-(4,5-dihydro-1H-imidazol-2-yl)-
CAS Number 850786-33-3 Molecular Weight 171.20
Density 1.2±0.1 g/cm3 Boiling Point 327.7±44.0 °C at 760 mmHg
Molecular Formula C10H9N3 Melting Point N/A
MSDS N/A Flash Point 152.0±28.4 °C

 Use of Benzonitrile,4-(4,5-dihydro-1H-imidazol-2-yl)-


SARS-CoV-2-IN-59 (compound E07), an imidazoline derivative, is a non-peptide small molecule inhibitor of SARS-CoV-2 that targets the main protease (Mpro) of the coronavirus. SARS-CoV-2-IN-59 has a strong interaction with residues on Mpro (Met 165, Gln 166, Met 165, His 41, Gln 189)[1].

 Names

Name 4-(4,5-Dihydro-1H-imidazol-2-yl)benzonitrile
Synonym More Synonyms

  Biological Activity

Description SARS-CoV-2-IN-59 (compound E07), an imidazoline derivative, is a non-peptide small molecule inhibitor of SARS-CoV-2 that targets the main protease (Mpro) of the coronavirus. SARS-CoV-2-IN-59 has a strong interaction with residues on Mpro (Met 165, Gln 166, Met 165, His 41, Gln 189)[1].
Related Catalog
Target

SARS-CoV-2[1]

References

[1]. Azimi S, et al. Green and rapid and instrumental one-pot method for the synthesis of imidazolines having potential anti-SARS-CoV-2 main protease activity. Sustain Chem Pharm. 2023 Sep;34:101136.. .  

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 327.7±44.0 °C at 760 mmHg
Molecular Formula C10H9N3
Molecular Weight 171.20
Flash Point 152.0±28.4 °C
Exact Mass 171.079651
LogP 0.00
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.642

 Synonyms

MFCD16877945
4-(4,5-Dihydro-1H-imidazol-2-yl)benzonitrile
Benzonitrile, 4-(4,5-dihydro-1H-imidazol-2-yl)-