Basic information
- CAS
5318-82-1- Standard SMILES
O=C(Nc1ccc(C2=NCCN2)cc1)c1cccc(C(=O)Nc2ccc(C3=NCCN3)cc2)c1.O=CO- InChIKey
HBAYTYQNIYIWTJ-UHFFFAOYSA-N- Molecular formula
- C27H26N6O4
- Average molar mass
- 498.5 g/mol
- Monoisotopic mass
- 498.20155333
Names & identifiers
- Preferred name
- Isophthalanilide,4''-di-2-imidazolin-2-yl-, diformate
- IUPAC
- 1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,3-dicarboxamide;formic acid
Names & synonyms
HR 21955318-82-1DTXSID70328844NSC59212NSC-59212Isophthalanilide,4''-di-2-imidazolin-2-yl-, diformateFormic acid,4''-di-2-imidazolin-2-ylisophthalanide (2:1)1, N,N'-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-, diformateFormic acid,N'-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3-benzenedicarboxamide (2:1)Formic acid--N~1~,N~3~-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,3-dicarboxamide (1/1)
Database identifiers
- CAS
5318-82-1- PubChem CID
- 414451
- DTXSID
DTXSID70328844
Properties
Computed structural properties
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 741
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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