Basic information
- CAS
1820-92-4- Standard SMILES
Cl.Cl.O=C(Nc1ccc(C2=NCCN2)cc1)c1ccc(C(=O)Nc2ccc(C3=NCCN3)cc2)c(Cl)c1- InChIKey
KCXOMSGEUJIQSZ-UHFFFAOYSA-N- Molecular formula
- C26H25Cl3N6O2
- Average molar mass
- 559.9 g/mol
- Monoisotopic mass
- 558.110457
Names & identifiers
- Preferred name
- 4',4''-Bis(2-imidazolin-2-YL)-2-chloroterephthalanilide dihydrochloride
- IUPAC
- 2-chloro-1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;dihydrochloride
Names & synonyms
313U5I23TM4',4''-Bis(2-imidazolin-2-yl)-2-chloroterephthalanilide dihydrochlorideNSC-38280RefChem:1069009Chloro TIC1820-92-4HR 19292-Chloro-4',4''-bis(2-imidazolin-2-yl)terephthalanilide dihydrochlorideSK 24761Terephthalanilide, 2-chloro-4',4''-di-2-imidazolin-2-yl-, dihydrochloride1,4-Benzenedicarboxamide, 2-chloro-N,N'-bis(4-(4,5-dihydro-1H-imidazol-2-yl)phenyl)-, dihydrochlorideUNII-313U5I23TM
Show more names
2-chloro-1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;dihydrochloride1,4-BENZENEDICARBOXAMIDE, 2-CHLORO-N1,N4-BIS(4-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)PHENYL)-, HYDROCHLORIDE (1:2)
Database identifiers
- CAS
1820-92-4- PubChem CID
- 98489
- UNII
- 313U5I23TM
Properties
Computed structural properties
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 832
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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