Benzimidazole, 1-(2-(diethylamino)ethyl)-2-((p-(ethylamino)phenyl)thio)-, trihydrochloride

HCID 21048

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Basic information

CAS: 4929-82-2
Standard SMILES: CC[NH2+]c1ccc(Sc2[nH]c3ccccc3[n+]2CC[NH+](CC)CC)cc1.[Cl-].[Cl-].[Cl-]
InChIKey: OBMVUGVBWJUFDD-UHFFFAOYSA-N
Molecular formula: C21H31Cl3N4S
Average molar mass: 477.9 g/mol
Monoisotopic mass: 476.133501

Names & identifiers

Preferred name: Benzimidazole, 1-(2-(diethylamino)ethyl)-2-((p-(ethylamino)phenyl)thio)-, trihydrochloride
IUPAC: diethyl-[2-[2-[4-(ethylazaniumyl)phenyl]sulfanyl-3H-benzimidazol-1-ium-1-yl]ethyl]azanium trichloride

Names & synonyms

Benzimidazole, 1-(2-(diethylamino)ethyl)-2-((p-(ethylamino)phenyl)thio)-, trihydrochloride1-(2-(Diethylamino)ethyl)-2-((p-(ethylamino)phenyl)thio)benzimidazole trihydrochloride4929-82-2RefChem:325796

Database identifiers

CAS: 4929-82-2
PubChem CID: 21048

Properties

Computed structural properties

Topological polar surface area: 66 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 9
Heavy atoms: 29
Formal charge: 0
Complexity: 395

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