Benzimidazole, 1-(2-(diethylamino)ethyl)-5-nitro-2-(2-(pyrrolidin-1-yl)ethyl)-, hydrochloride
Basic information
- CAS
19809-13-3- Standard SMILES
CC[NH+](CC)CCn1c(CCN2CCCC2)nc2cc([N+](=O)[O-])ccc21.[Cl-]- InChIKey
MPEXANHRRDWHLD-UHFFFAOYSA-N- Molecular formula
- C19H30ClN5O2
- Average molar mass
- 395.9 g/mol
- Monoisotopic mass
- 395.2088029
Names & identifiers
- Preferred name
- Benzimidazole, 1-(2-(diethylamino)ethyl)-5-nitro-2-(2-(pyrrolidin-1-yl)ethyl)-, hydrochloride
- IUPAC
- diethyl-[2-[5-nitro-2-(2-pyrrolidin-1-ylethyl)benzimidazol-1-yl]ethyl]azanium chloride
Names & synonyms
Benzimidazole, 1-(2-(diethylamino)ethyl)-5-nitro-2-(2-(pyrrolidin-1-yl)ethyl)-, hydrochloride1-(2-(Diethylamino)ethyl)-5-nitro-2-(2-(pyrrolidin-1-yl)ethyl)benzimidazole hydrochloride19809-13-3RefChem:325809
Database identifiers
- CAS
19809-13-3- PubChem CID
- 29793
Properties
Computed structural properties
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 448
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