Basic information
- Standard SMILES
[2H]C([2H])([2H])Oc1ccc(Cc2nc3cc([N+](=O)[O-])ccc3n2CCN(CC)CC)cc1- InChIKey
HNGZTLMRQTVPBH-HPRDVNIFSA-N- Molecular formula
- C21H26N4O3
- Average molar mass
- 385.5 g/mol
- Monoisotopic mass
- 385.21932094
Names & identifiers
- Preferred name
- N,N-Diethyl-2-[5-nitro-2-[[4-(trideuteriomethoxy)phenyl]methyl]benzimidazol-1-yl]ethanamine
- IUPAC
- N,N-diethyl-2-[5-nitro-2-[[4-(trideuteriomethoxy)phenyl]methyl]benzimidazol-1-yl]ethanamine
Names & synonyms
DTXSID301356001N,N-Diethyl-2-[5-nitro-2-[[4-(trideuteriomethoxy)phenyl]methyl]benzimidazol-1-yl]ethanamine
Database identifiers
- PubChem CID
- 168317561
- DTXSID
DTXSID301356001
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 489
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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