Basic information
- Standard SMILES
COc1ccc(OCCCCCCSc2nc3ccccc3[nH]2)c(Cl)c1- InChIKey
JVNIGFHDCFXLOZ-UHFFFAOYSA-N- Molecular formula
- C20H23ClN2O2S
- Average molar mass
- 390.9 g/mol
- Monoisotopic mass
- 390.1168768
Names & identifiers
- Preferred name
- 2-[6-(2-Chloro-4-methoxyphenoxy)-1-hexylthio]-benzimidazole
- IUPAC
- 2-[6-(2-chloro-4-methoxyphenoxy)hexylsulfanyl]-1H-benzimidazole
Names & synonyms
SCHEMBL6475649JVNIGFHDCFXLOZ-UHFFFAOYSA-N2-[6-(2-chloro-4-methoxyphenoxy)-1-hexylthio]-benzimidazole
Database identifiers
- PubChem CID
- 22394075
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 72.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 404
Related reactions
5 records
Compound notes
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