2,4'-Bi-1H-imidazole, 1,1'-dimethyl-2'-nitro-
Basic information
- CAS
141657-27-4- Standard SMILES
Cn1ccnc1-c1cn(C)c([N+](=O)[O-])n1- InChIKey
JOXBNAFBSZBFRF-UHFFFAOYSA-N- Molecular formula
- C8H9N5O2
- Average molar mass
- 207.19 g/mol
- Monoisotopic mass
- 207.07562455
Names & identifiers
- Preferred name
- 2,4'-Bi-1H-imidazole, 1,1'-dimethyl-2'-nitro-
- IUPAC
- 1-methyl-4-(1-methylimidazol-2-yl)-2-nitroimidazole
Names & synonyms
2,4'-Bi-1H-imidazole, 1,1'-dimethyl-2'-nitro-141657-27-41,1'-Dimethyl-2'-nitro-2,4'-Bi-1H-imidazoleDTXSID801617841,1'-Dimethyl-2'-nitro-1H,1'H-2,4'-biimidazole
Database identifiers
- CAS
141657-27-4- PubChem CID
- 197320
- DTXSID
DTXSID80161784
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 81.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 256
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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