Clemizole
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Clemizole
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CAS No:
442-52-4
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Formula:
C19H20ClN3
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Chemical Name:
Clemizole
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Synonyms:
1H-Benzimidazole,1-[(4-chlorophenyl)methyl]-2-(1-pyrrolidinylmethyl)-;Benzimidazole,1-(p-chlorobenzyl)-2-(1-pyrrolidinylmethyl)-;Pyrrolidine,1-[(1-p-chlorobenzyl-2-benzimidazolyl)methyl]-;1-[(4-Chlorophenyl)methyl]-2-(1-pyrrolidinylmethyl)-1H-benzimidazole;1-p-Chlorobenzyl-2-pyrrolidino-methylbenzimidazole;1-p-Chlorobenzyl-2-(1-pyrrolidinylmethyl)benzimidazole;1-(p-Chlorobenzyl)-2-pyrrolidylmethylenebenzimidazole;Histacur;Histakool;Clemizole;Lergopenin;Depocural;NSC 46261
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CAS No:
Description
Clemizole is an H1 histamine receptor antagonist, is found to substantially inhibit HCV replication. The IC50 of Clemizole for RNA binding by NS4B is 24±1 nM, whereas its EC50 for viral replication is 8 µM.
Clemizole is a member of the class of benzimidazoles that is 1H-benzimidazole substituted by a pyrrolidin-1-ylmethyl and a 4-chlorobenzyl groups at positions 2 and 1 respectively. It has a role as a histamine antagonist. It is a member of pyrrolidines, a member of benzimidazoles and a member of monochlorobenzenes. It is a conjugate base of a clemizole(1+). It derives from a hydride of a 1H-benzimidazole.
Characteristics
21.1
5.10
1.3±0.1 g/cm3
167 °C
506.1±40.0 °C at 760 mmHg
259.9±27.3 °C
1.656
2.29E-10mmHg at 25°C
Computed Properties
Molecular Weight:325.8
XLogP3:4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:325.1345753
Monoisotopic Mass:325.1345753
Topological Polar Surface Area:21.1
Heavy Atom Count:23
Complexity:377
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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