Basic information
- CAS
33986-09-3- Standard SMILES
O=C(Nc1ccc(-c2ncc[nH]2)cc1)c1ccc(C(=O)Nc2ccc(-c3ncc[nH]3)cc2)c(Cl)c1- InChIKey
ZFZVYVZFKXDRTM-UHFFFAOYSA-N- Molecular formula
- C26H19ClN6O2
- Average molar mass
- 482.9 g/mol
- Monoisotopic mass
- 482.1258016
Names & identifiers
- Preferred name
- 2-Chloro-3',3''-di-2-imidazolin-2-yl-terephthalanilide
- IUPAC
- 2-chloro-1-N,4-N-bis[4-(1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide
Names & synonyms
2-Chloro-3',3''-di-2-imidazolin-2-yl-terephthalanilideUNII-AI7SPE38EJAI7SPE38EJ33986-09-3DTXSID50187592NSC-38278TEREPHTHALANILIDE, 2-CHLORO-3',3''-DI-2-IMIDAZOLIN-2-YL-1,4-BENZENEDICARBOXAMIDE, 2-CHLORO-N,N'-BIS(3-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)PHENYL)-1,4-BENZENEDICARBOXAMIDE, 2-CHLORO-N1,N4-BIS(3-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)PHENYL)-RefChem:86156DTXCID10110083CHEMBL4097619
Show more names
Q272739342-Chloro-N~1~,N~4~-bis[4-(1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide
Database identifiers
- CAS
33986-09-3- PubChem CID
- 36650
- DTXSID
DTXSID50187592- ChEMBL
CHEMBL4097619- UNII
- AI7SPE38EJ
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 725
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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