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442-52-4

442-52-4 structural image
Product Name: Clemizole
Formula: C19H20ClN3
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 2620 2600 2660 2590

COMPUTED DESCRIPTORS

Molecular Weight 325.8 g/mol
XLogP3 4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 4
Exact Mass 325.1345753 g/mol
Monoisotopic Mass 325.1345753 g/mol
Topological Polar Surface Area 21.1 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 377
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

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.