5-Benzylidene-3-[2-[4-benzylidene-2-(4-butoxyphenyl)-5-oxoimidazol-1-yl]ethyl]-2-(4-butoxyphenyl)imidazol-4-one
Basic information
- CAS
899011-51-9- Standard SMILES
CCCCOc1ccc(C2=NC(=Cc3ccccc3)C(=O)N2CCN2C(=O)C(=Cc3ccccc3)N=C2c2ccc(OCCCC)cc2)cc1- InChIKey
XGSPCYOAABBYKX-UHFFFAOYSA-N- Molecular formula
- C42H42N4O4
- Average molar mass
- 666.8 g/mol
- Monoisotopic mass
- 666.32060583
Names & identifiers
- Preferred name
- 5-Benzylidene-3-[2-[4-benzylidene-2-(4-butoxyphenyl)-5-oxoimidazol-1-yl]ethyl]-2-(4-butoxyphenyl)imidazol-4-one
- IUPAC
- 5-benzylidene-3-[2-[4-benzylidene-2-(4-butoxyphenyl)-5-oxoimidazol-1-yl]ethyl]-2-(4-butoxyphenyl)imidazol-4-one
Names & synonyms
DTXSID301117683899011-51-93,3'-(Ethane-1,2-diyl)bis[5-benzylidene-2-(4-butoxyphenyl)-3,5-dihydro-4H-imidazol-4-one]4H-Imidazol-4-one, 3,3a(2)-(1,2-ethanediyl)bis[2-(4-butoxyphenyl)-3,5-dihydro-5-(phenylmethylene)-
Database identifiers
- CAS
899011-51-9- PubChem CID
- 4874680
- DTXSID
DTXSID301117683
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,150
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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