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Basic information
- CAS
823182-55-4- Standard SMILES
Fc1ccc2nc(SCCN3CCNCC3)[nH]c2c1- InChIKey
YQRBPPRWFWEKFB-UHFFFAOYSA-N- Molecular formula
- C13H17FN4S
- Average molar mass
- 280.37 g/mol
- Monoisotopic mass
- 280.11579576
Names & identifiers
- Preferred name
- 6-Fluoro-2-{[2-(piperazin-1-yl)ethyl]sulfanyl}-1H-benzimidazole
- IUPAC
- 6-fluoro-2-(2-piperazin-1-ylethylsulfanyl)-1H-benzimidazole
Names & synonyms
823182-55-4SCHEMBL5381229SCHEMBL5381243DTXSID90630754YQRBPPRWFWEKFB-UHFFFAOYSA-N6-Fluoro-2-{[2-(piperazin-1-yl)ethyl]sulfanyl}-1H-benzimidazole1-[2-(5-fluorobenzimidazol-2-ylthio)ethyl]piperazine6-Fluoro-2-{[2-(piperazin-1-yl)ethyl]sulfanyl}-1H-1,3-benzimidazole
Database identifiers
- CAS
823182-55-4- PubChem CID
- 23116156
- DTXSID
DTXSID90630754
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 69.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 288
Related reactions
1 records
Compound notes
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