CHEMICAL AND PHYSICAL PROPERTIES
Kovats Retention Index | 2620 2600 2660 2590 |
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COMPUTED DESCRIPTORS
Molecular Weight | 325.8 g/mol |
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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.