1H-Imidazole-1-butanoic acid, 4,5-dihydro-4-((4-chlorophenyl)methylene)-2-methyl-5-oxo-, compd. with piperazine (2:1)
Basic information
- CAS
73043-49-9- Standard SMILES
C1CNCCN1.CC1=N/C(=C/c2ccc(Cl)cc2)C(=O)N1CCCC(=O)O.CC1=N/C(=C/c2ccc(Cl)cc2)C(=O)N1CCCC(=O)O- InChIKey
VEXHNNCQXNJXFX-YJCYQSLBSA-N- Molecular formula
- C34H40Cl2N6O6
- Average molar mass
- 699.6 g/mol
- Monoisotopic mass
- 698.2386384
Names & identifiers
- Preferred name
- 1H-Imidazole-1-butanoic acid, 4,5-dihydro-4-((4-chlorophenyl)methylene)-2-methyl-5-oxo-, compd. with piperazine (2:1)
- IUPAC
- bis(4-[(4E)-4-[(4-chlorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]butanoic acid);piperazine
Names & synonyms
73043-49-9RefChem:1057962
Database identifiers
- CAS
73043-49-9- PubChem CID
- 6447280
Properties
Computed structural properties
- Topological polar surface area
- 164 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 506
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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