Clemizole

CAS Registry Number®

442-52-4

CAS Name

Clemizole

Molecular Formula

C19H20ClN3

Molecular Mass

325.84

Cite this Page

Clemizole.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=442-52-4 (retrieved 2024-11-24) (CAS RN: 442-52-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    167 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C19H20ClN3/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2

InChIKey

InChIKey=CJXAEXPPLWQRFR-UHFFFAOYSA-N

SMILES

C(N1C=2C(N=C1CN3CCCC3)=CC=CC2)C4=CC=C(Cl)C=C4

Canonical SMILES

ClC1=CC=C(C=C1)CN2C=3C=CC=CC3N=C2CN4CCCC4

Other Names for this Substance

  • 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

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