Benzimidazole, 1-(3-(dimethylamino)propyl)-2-(phenoxymethyl)-, hydrochloride, hydrate (1:2:1)

HCID 30353

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Basic information

CAS: 20904-17-0
Standard SMILES: C[NH+](C)CCC[n+]1c(COc2ccccc2)[nH]c2ccccc21.[Cl-].[Cl-]
InChIKey: TUKQWDIPDAZSKD-UHFFFAOYSA-N
Molecular formula: C19H25Cl2N3O
Average molar mass: 382.3 g/mol
Monoisotopic mass: 381.1374678

Names & identifiers

Preferred name: Benzimidazole, 1-(3-(dimethylamino)propyl)-2-(phenoxymethyl)-, hydrochloride, hydrate (1:2:1)
IUPAC: dimethyl-[3-[2-(phenoxymethyl)-3H-benzimidazol-1-ium-1-yl]propyl]azanium dichloride

Names & synonyms

1-(3-Dimethylaminopropyl)-2-(phenoxymethyl)benzimidazole dihydrochloride hydrateBenzimidazole, 1-(3-(dimethylamino)propyl)-2-(phenoxymethyl)-, hydrochloride, hydrate (1:2:1)20904-17-0RefChem:325821

Database identifiers

CAS: 20904-17-0
PubChem CID: 30353

Properties

Computed structural properties

Topological polar surface area: 33.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 25
Formal charge: 0
Complexity: 344

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