1-Tert-butoxycarbonyl-4-[2-(5-fluorobenzimidazol-2-ylthio)ethyl]piperazine
Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(CCSc2nc3ccc(F)cc3[nH]2)CC1- InChIKey
IJMJYRONYVYQPN-UHFFFAOYSA-N- Molecular formula
- C18H25FN4O2S
- Average molar mass
- 380.5 g/mol
- Monoisotopic mass
- 380.16822539
Names & identifiers
- Preferred name
- 1-Tert-butoxycarbonyl-4-[2-(5-fluorobenzimidazol-2-ylthio)ethyl]piperazine
- IUPAC
- tert-butyl 4-[2-[(6-fluoro-1H-benzimidazol-2-yl)sulfanyl]ethyl]piperazine-1-carboxylate
Names & synonyms
SCHEMBL5390175SCHEMBL5390189IJMJYRONYVYQPN-UHFFFAOYSA-N1-tert-butoxycarbonyl-4-[2-(5-fluorobenzimidazol-2-ylthio)ethyl]piperazine
Database identifiers
- PubChem CID
- 23116162
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 86.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 482
Related reactions
3 records
Compound notes
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