Basic information
- CAS
4929-81-1- Standard SMILES
CC[NH+](CC)CC[n+]1c(Sc2ccc([NH+](CC)CC)cc2)[nH]c2ccccc21.[Cl-].[Cl-].[Cl-]- InChIKey
DRILCDRZWWHYPC-UHFFFAOYSA-N- Molecular formula
- C23H35Cl3N4S
- Average molar mass
- 506 g/mol
- Monoisotopic mass
- 504.164801
Names & identifiers
- Preferred name
- Benzimidazole, 1-(2-(diethylamino)ethyl)-2-((p-(diethylamino)phenyl)thio)-, trihydrochloride, hydrate
- IUPAC
- [4-[[3-[2-(diethylazaniumyl)ethyl]-1H-benzimidazol-3-ium-2-yl]sulfanyl]phenyl]-diethylazanium trichloride
Names & synonyms
4929-81-1Benzimidazole, 1-(2-(diethylamino)ethyl)-2-((p-(diethylamino)phenyl)thio)-, trihydrochloride, hydrate1-(2-(Diethylamino)ethyl)-2-((p-(diethylamino)phenyl)thio)benzimidazole 3HCl hydrateRefChem:325795
Database identifiers
- CAS
4929-81-1- PubChem CID
- 21046
Properties
Computed structural properties
- Topological polar surface area
- 53.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 432
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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