Benzimidazole, 1-(3-dimethylaminopropyl)-5-nitro-2-(pyrrolidin-1-yl)ethyl-, hydrochloride

HCID 28784

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Basic information

CAS: 17817-79-7
Standard SMILES: C[NH+](C)CCCn1c(CCN2CCCC2)nc2cc([N+](=O)[O-])ccc21.[Cl-]
InChIKey: AZFIBHSHETUYNP-UHFFFAOYSA-N
Molecular formula: C18H28ClN5O2
Average molar mass: 381.9 g/mol
Monoisotopic mass: 381.1931528

Names & identifiers

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

Names & synonyms

Benzimidazole, 1-(3-dimethylaminopropyl)-5-nitro-2-(pyrrolidin-1-yl)ethyl-, hydrochloride1-(3-Dimethylaminopropyl)-5-nitro-2-(pyrrolidin-1-yl)ethylbenzimidazole hydrochloride17817-79-7RefChem:325823

Database identifiers

CAS: 17817-79-7
PubChem CID: 28784

Properties

Computed structural properties

Topological polar surface area: 71.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 26
Formal charge: 0
Complexity: 436

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