Basic information
- Standard SMILES
Cc1ccc2nc(SCCOc3ccc(Cl)cc3)[nH]c2c1- InChIKey
JQQHCCYWNCQDCP-UHFFFAOYSA-N- Molecular formula
- C16H15ClN2OS
- Average molar mass
- 318.8 g/mol
- Monoisotopic mass
- 318.059362
Names & identifiers
- Preferred name
- 2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-5-methyl-1H-1,3-benzodiazole
- IUPAC
- 2-[2-(4-chlorophenoxy)ethylsulfanyl]-6-methyl-1H-benzimidazole
Names & synonyms
340739-82-42-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-5-methyl-1H-1,3-benzodiazoleSCHEMBL5112521SCHEMBL5112528JQQHCCYWNCQDCP-UHFFFAOYSA-N2-[2-(4-chlorophenoxy)ethylsulfanyl]-6-methyl-1H-benzimidazoleSTK825702AKOS001174243AKOS005608428ST50070614Z18442667F1501-0086
Show more names
1-chloro-4-[2-(5-methylbenzimidazol-2-ylthio)ethoxy]benzene2-((2-(4-chlorophenoxy)ethyl)thio)-5-methyl-1H-benzo[d]imidazole2-[2-(4-Chloro-phenoxy)-ethylsulfanyl]-5-methyl-benzoimidazole2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-5-methyl-1H-benzimidazole2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-6-methyl-1H-benzimidazole
Database identifiers
- PubChem CID
- 2129684
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 325
Related reactions
2 records
Compound notes
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