Basic information
- CAS
21696-20-8- Standard SMILES
O=C(Nc1ccc(C2=NCCN2)cc1)c1ccc(Cl)c(C(=O)Nc2ccc(C3=NCCN3)cc2)c1- InChIKey
JLZYNCFEAOBCAX-UHFFFAOYSA-N- Molecular formula
- C26H23ClN6O2
- Average molar mass
- 487 g/mol
- Monoisotopic mass
- 486.1571017
Names & identifiers
- Preferred name
- 4-Chloro-N1,N3-bis(4-(4,5-dihydro-1H-imidazol-2-yl)phenyl)isophthalamide
- IUPAC
- 4-chloro-1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,3-dicarboxamide
Names & synonyms
MLS00073674821696-20-84-Chloro-n,n-bis[4-(4,5-dihydro-1h-imidazol-2-yl)phenyl]benzene-1,3-dicarboxamideCHEMBL1331995BDBM92361DTXSID50944309NSC-674364-Chloro-N1,N3-bis(4-(4,5-dihydro-1H-imidazol-2-yl)phenyl)isophthalamideSMR000528310DS-0149614-Chloro-N~1~,N~3~-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,3-dicarboxamide
Database identifiers
- CAS
21696-20-8- PubChem CID
- 249307
- DTXSID
DTXSID50944309- ChEMBL
CHEMBL1331995
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 832
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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