6-({[2-(4-Fluorophenyl)-1H-benzimidazol-6-yl]amino}methylidene)-2,4-dinitrocyclohexa-2,4-dien-1-one
Basic information
- CAS
5790-02-3- Standard SMILES
O=[N+]([O-])c1cc(C=Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)c(O)c([N+](=O)[O-])c1- InChIKey
LPFCMWHKSFUIDD-UHFFFAOYSA-N- Molecular formula
- C20H12FN5O5
- Average molar mass
- 421.3 g/mol
- Monoisotopic mass
- 421.08224666
Names & identifiers
- Preferred name
- 6-({[2-(4-Fluorophenyl)-1H-benzimidazol-6-yl]amino}methylidene)-2,4-dinitrocyclohexa-2,4-dien-1-one
- IUPAC
- 2-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]iminomethyl]-4,6-dinitrophenol
Names & synonyms
5790-02-3Oprea1_315537DTXSID80425712MFCD00741793AKOS0017034126-({[2-(4-Fluorophenyl)-1H-benzimidazol-6-yl]amino}methylidene)-2,4-dinitrocyclohexa-2,4-dien-1-one2-({[2-(4-fluorophenyl)-1H-benzimidazol-5-yl]imino}methyl)-4,6-dinitrophenol2-[(E)-{[2-(4-FLUOROPHENYL)-1H-1,3-BENZODIAZOL-5-YL]IMINO}METHYL]-4,6-DINITROPHENOL6-({[2-(4-Fluorophenyl)-1H-1,3-benzimidazol-6-yl]amino}methylidene)-2,4-dinitrocyclohexa-2,4-dien-1-one
Database identifiers
- CAS
5790-02-3- PubChem CID
- 5202283
- DTXSID
DTXSID80425712
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 692
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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