Basic information
- Standard SMILES
CCOC(=O)CCCCSc1nc2ccc(F)cc2[nH]1- InChIKey
MJNQJDZWBUREFE-UHFFFAOYSA-N- Molecular formula
- C14H17FN2O2S
- Average molar mass
- 296.36 g/mol
Names & identifiers
- Preferred name
- 2-(4-Ethyloxycarbonyl-butylsulfanyl)-5-fluoro-benzoimidazole
- IUPAC
- ethyl 5-[(6-fluoro-1H-benzimidazol-2-yl)sulfanyl]pentanoate
Names & synonyms
SCHEMBL5107772SCHEMBL5107776MJNQJDZWBUREFE-UHFFFAOYSA-N2-(4-Ethyloxycarbonyl-butylsulfanyl)-5-fluoro-benzoimidazole
Database identifiers
- PubChem CID
- 69314124
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 320
Related reactions
2 records
Compound notes
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