Basic information
- CAS
22261-49-0- Standard SMILES
Cc1ccc(C(=O)NCCn2cnc3ccccc32)cc1.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1- InChIKey
MLAPEMPFYBJRDY-UHFFFAOYSA-N- Molecular formula
- C23H20N6O8
- Average molar mass
- 508.4 g/mol
- Monoisotopic mass
- 508.13426162
Names & identifiers
- Preferred name
- p-Toluamide, N-(2-(1-benzimidazolyl)ethyl)-, monopicrate
- IUPAC
- N-[2-(benzimidazol-1-yl)ethyl]-4-methylbenzamide;2,4,6-trinitrophenol
Names & synonyms
p-Toluamide, N-(2-(1-benzimidazolyl)ethyl)-, monopicrateN-(2-(1-Benzimidazolyl)ethyl)-p-toluamide picrate22261-49-0DTXSID50176805RefChem:367753DTXCID9099296N-[2-(1H-1,3-Benzimidazol-1-yl)ethyl]-4-methylbenzamide--2,4,6-trinitrophenol (1/1)
Database identifiers
- CAS
22261-49-0- PubChem CID
- 211095
- DTXSID
DTXSID50176805
Properties
Computed structural properties
- Topological polar surface area
- 205 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 643
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…