Basic information
- CAS
36911-75-8- Standard SMILES
CN1CCN(CCSc2nc3cc([N+](=O)[O-])ccc3n2C)CC1- InChIKey
WBQFPHZVQFHLRV-UHFFFAOYSA-N- Molecular formula
- C15H21N5O2S
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 335.1415961
Names & identifiers
- Preferred name
- Benzimidazole, 1-methyl-2-(2-(4-methyl-1-piperazinyl)ethylthio)-5-nitro-
- IUPAC
- 1-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]-5-nitrobenzimidazole
Names & synonyms
BRN 0571753BENZIMIDAZOLE, 1-METHYL-2-(2-(4-METHYL-1-PIPERAZINYL)ETHYLTHIO)-5-NITRO-36911-75-8DTXSID401903931-Methyl-2-(2-(4-methyl-1-piperazinyl)ethylthio)-5-nitrobenzimidazole5-23-11-00302 (Beilstein Handbook Reference)RefChem:325825DTXCID501128841-Methyl-2-{[2-(4-methylpiperazin-1-yl)ethyl]sulfanyl}-5-nitro-1H-1,3-benzimidazole
Database identifiers
- CAS
36911-75-8- PubChem CID
- 37579
- DTXSID
DTXSID40190393- Nikkaji
- J69.225E
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 95.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 413
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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