Basic information
- CAS
4929-77-5- Standard SMILES
CCOc1ccc(Sc2nc3ccccc3n2CC[NH+](CC)CC)cc1.[Cl-]- InChIKey
IAJXTNHWVMRAEC-UHFFFAOYSA-N- Molecular formula
- C21H28ClN3OS
- Average molar mass
- 406 g/mol
- Monoisotopic mass
- 405.1641614
Names & identifiers
- Preferred name
- Benzimidazole, 1-(2-(diethylamino)ethyl)-2-((p-ethoxyphenyl)thio)-, hydrochloride
- IUPAC
- 2-[2-(4-ethoxyphenyl)sulfanylbenzimidazol-1-yl]ethyl-diethylazanium chloride
Names & synonyms
Benzimidazole, 1-(2-(diethylamino)ethyl)-2-((p-ethoxyphenyl)thio)-, hydrochloride1-(2-(Diethylamino)ethyl)-2-((p-ethoxyphenyl)thio)benzimidazole hydrochloride4929-77-5RefChem:325798
Database identifiers
- CAS
4929-77-5- PubChem CID
- 21044
Properties
Computed structural properties
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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