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

Substructure search Find similar structures

Basic information

CAS: 20904-15-8
Standard SMILES: C[NH+](C)CC[n+]1c(COc2ccccc2)[nH]c2ccccc21.[Cl-].[Cl-]
InChIKey: XEQYERYPHRVQAU-UHFFFAOYSA-N
Molecular formula: C18H23Cl2N3O
Average molar mass: 368.3 g/mol
Monoisotopic mass: 367.1218178

Names & identifiers

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

Names & synonyms

1-(2-Dimethylaminoethyl)-2-(phenoxymethyl)benzimidazole dihydrochloride dihydrate20904-15-8Benzimidazole, 1-(2-(dimethylamino)ethyl)-2-(phenoxymethyl)-, hydrochloride, hydrate (1:2:2)RefChem:325812

Database identifiers

CAS: 20904-15-8
PubChem CID: 30351

Properties

Computed structural properties

Topological polar surface area: 33.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 24
Formal charge: 0
Complexity: 330

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…