1-Ethyl-5-fluoro-6-[4-methyl-1-piperazinyl]-2-benzimidazolecarbothioamide
Basic information
- Standard SMILES
CCn1c(C(N)=S)nc2cc(F)c(N3CCN(C)CC3)cc21- InChIKey
ONAQGPBRCPYANV-UHFFFAOYSA-N- Molecular formula
- C15H20FN5S
- Average molar mass
- 321.4 g/mol
Names & identifiers
- Preferred name
- 1-Ethyl-5-fluoro-6-[4-methyl-1-piperazinyl]-2-benzimidazolecarbothioamide
- IUPAC
- 1-ethyl-5-fluoro-6-(4-methylpiperazin-1-yl)benzimidazole-2-carbothioamide
Names & synonyms
SCHEMBL9302147ONAQGPBRCPYANV-UHFFFAOYSA-N1-ethyl-5-fluoro-6-[4-methyl-1-piperazinyl]-2-benzimidazolecarbothioamide
Database identifiers
- PubChem CID
- 19101696
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 82.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 415
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Related reactions
1 records
Compound notes
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