1-[(4-chlorophenyl)methyl]-2-[(pyrrolidin-1-yl)methyl]-1H-1,3-benzodiazole



Compound number:
MolPort-000-411-312
CAS number: 442-52-4
IUPAC:
1-[(4-chlorophenyl)methyl]-2-[(pyrrolidin-1-yl)methyl]-1H-1,3-benzodiazole
IUPAC traditional:
clemizole
SMILES:
Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc23)cc1
InChI key:
CJXAEXPPLWQRFR-UHFFFAOYSA-N
Molecular formula:
C19H20ClN3
Molecular weight: 325.84
Solubility: not available

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More Information

Compound Identifiers
Compound number: MolPort-000-411-312
CAS number: 442-52-4

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000000057260
MFCD00051434
1-(4-chlorobenzyl)-2-(pyrrolidin-1-ylmethyl)-1H-benzimidazole hydrochloride
1-(4-chlorobenzyl)-2-(pyrrolidin-1-ylmethyl)-1H-benzo[d]imidazole
1-[(4-chlorophenyl)methyl]-2-[(pyrrolidin-1-yl)methyl]-1H-1,3-benzodiazole
1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzoimidazole
1H-Benzimidazole, 1-[(4-chlorophenyl)methyl]-2-(1-pyrrolidinylmethyl)-
clemizole

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
InChI key: CJXAEXPPLWQRFR-UHFFFAOYSA-N

Calculated Properties
Molecular formula: C19H20ClN3
Molecular weight: 325.84

Other

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