Benzimidazole, 1-(3-(dimethylamino)propyl)-2-(2-morpholinoethyl)-5-nitro-, hydrochloride

HCID 29795

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Basic information

CAS: 19809-15-5
Standard SMILES: C[NH+](C)CCCn1c(CCN2CCOCC2)nc2cc([N+](=O)[O-])ccc21.[Cl-]
InChIKey: VYFQVCQXDQKIKH-UHFFFAOYSA-N
Molecular formula: C18H28ClN5O3
Average molar mass: 397.9 g/mol
Monoisotopic mass: 397.1880675

Names & identifiers

Preferred name: Benzimidazole, 1-(3-(dimethylamino)propyl)-2-(2-morpholinoethyl)-5-nitro-, hydrochloride
IUPAC: dimethyl-[3-[2-(2-morpholin-4-ylethyl)-5-nitrobenzimidazol-1-yl]propyl]azanium chloride

Names & synonyms

Benzimidazole, 1-(3-(dimethylamino)propyl)-2-(2-morpholinoethyl)-5-nitro-, hydrochloride1-(3-(Dimethylamino)propyl)-2-(2-morpholinoethyl)-5-nitrobenzimidazole hydrochloride19809-15-5RefChem:325820

Database identifiers

CAS: 19809-15-5
PubChem CID: 29795

Properties

Computed structural properties

Topological polar surface area: 80.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 27
Formal charge: 0
Complexity: 453

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