Pyridinium, 2-((hexyldithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride
Basic information
- CAS
124474-47-1- Standard SMILES
CCCCCCSSCc1c(C)c(OC)cc[n+]1-c1nc2ccc(C(F)(F)F)cc2[nH]1.[Cl-]- InChIKey
HDJVOROQYVGKQY-UHFFFAOYSA-M- Molecular formula
- C22H27ClF3N3OS2
- Average molar mass
- 506.1 g/mol
- Monoisotopic mass
- 505.123617
Names & identifiers
- Preferred name
- Pyridinium, 2-((hexyldithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride
- IUPAC
- 2-[2-[(hexyldisulfanyl)methyl]-4-methoxy-3-methylpyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole chloride
Names & synonyms
124474-47-1Pyridinium, 2-((hexyldithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chlorideRefChem:377109SCHEMBL10713490SCHEMBL10713496DTXSID30924821HDJVOROQYVGKQY-UHFFFAOYSA-M{2-[(Hexyldisulfanyl)methyl]-3-methyl-1-[6-(trifluoromethyl)-1H-1,3-benzimidazol-2-yl]pyridin-4(1H)-ylidene}(methyl)oxidanium chloride{2-[(Hexyldisulfanyl)methyl]-3-methyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-4(1H)-ylidene}(methyl)oxidanium chloride
Database identifiers
- CAS
124474-47-1- PubChem CID
- 3079142
- DTXSID
DTXSID30924821
Properties
Computed structural properties
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 543
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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