1H-Imidazole, 4,5-dihydro-1-butyl-2-(2,2-diphenylcyclopropyl)-, oxalate (2:1)
Basic information
- CAS
57626-09-2- Standard SMILES
CCCCN1CCN=C1C1CC1(c1ccccc1)c1ccccc1.CCCCN1CCN=C1C1CC1(c1ccccc1)c1ccccc1.O=C(O)C(=O)O- InChIKey
OKFHCSSUFBFZHB-UHFFFAOYSA-N- Molecular formula
- C46H54N4O4
- Average molar mass
- 726.9 g/mol
- Monoisotopic mass
- 726.41450622
Names & identifiers
- Preferred name
- 1H-Imidazole, 4,5-dihydro-1-butyl-2-(2,2-diphenylcyclopropyl)-, oxalate (2:1)
- IUPAC
- bis(1-butyl-2-(2,2-diphenylcyclopropyl)-4,5-dihydroimidazole);oxalic acid
Names & synonyms
1H-Imidazole, 4,5-dihydro-1-butyl-2-(2,2-diphenylcyclopropyl)-, oxalate (2:1)57626-09-2RefChem:1057923DTXSID009732001-(2-(N-Butyl)-delta(sup 2)-imidazolinyl)-2,2-diphenylcyclopropane oxalate (2:1)4,5-Dihydro-1-butyl-2-(2,2-diphenylcyclopropyl)-1H-imidazole ethanedioate (2:1)Oxalic acid--1-butyl-2-(2,2-diphenylcyclopropyl)-4,5-dihydro-1H-imidazole (1/2)
Database identifiers
- CAS
57626-09-2- PubChem CID
- 3044705
- DTXSID
DTXSID00973200
Properties
Computed structural properties
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 496
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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