Isophthalanilide,4''-bis(1-methyl-2-imidazolin-2-yl)-, dihydrochloride
Basic information
- CAS
21696-02-6- Standard SMILES
CN1CCN=C1c1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(C4=NCCN4C)cc3)c2)cc1.Cl- InChIKey
PAWNOIQWYPCROO-UHFFFAOYSA-N- Molecular formula
- C28H29ClN6O2
- Average molar mass
- 517 g/mol
- Monoisotopic mass
- 516.2040519
Names & identifiers
- Preferred name
- Isophthalanilide,4''-bis(1-methyl-2-imidazolin-2-yl)-, dihydrochloride
- IUPAC
- 1-N,3-N-bis[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]benzene-1,3-dicarboxamide;hydrochloride
Names & synonyms
21696-02-6DTXSID70712623NSC66748NSC-66748Isophthalanilide,4''-bis(1-methyl-2-imidazolin-2-yl)-, dihydrochlorideN~1~,N~3~-Bis[4-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,3-dicarboxamide--hydrogen chloride (1/1)
Database identifiers
- CAS
21696-02-6- PubChem CID
- 54599042
- DTXSID
DTXSID70712623
Properties
Computed structural properties
- Topological polar surface area
- 89.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 788
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…