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

HCID 29797

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Basic information

CAS: 19809-17-7
Standard SMILES: C[NH+](C)CCCn1c(CCN2CCCCC2)nc2cc([N+](=O)[O-])ccc21.[Cl-]
InChIKey: MSRIQQFGPMCYML-UHFFFAOYSA-N
Molecular formula: C19H30ClN5O2
Average molar mass: 395.9 g/mol
Monoisotopic mass: 395.2088029

Names & identifiers

Preferred name: Benzimidazole, 1-(3-(dimethylamino)propyl)-5-nitro-2-(2-piperidinoethyl)-, hydrochloride
IUPAC: dimethyl-[3-[5-nitro-2-(2-piperidin-1-ylethyl)benzimidazol-1-yl]propyl]azanium chloride

Names & synonyms

Benzimidazole, 1-(3-(dimethylamino)propyl)-5-nitro-2-(2-piperidinoethyl)-, hydrochloride1-(3-(Dimethylamino)propyl)-5-nitro-2-(2-(piperidino)ethyl)benzimidazole hydrochloride19809-17-7RefChem:325822

Database identifiers

CAS: 19809-17-7
PubChem CID: 29797

Properties

Computed structural properties

Topological polar surface area: 71.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 27
Formal charge: 0
Complexity: 450

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