5-(3,4-dichlorophenyl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-4-(4-methoxybenzoyl)-1,5-dihydro-2H-pyrrol-2-one
Basic information
- CAS
431930-05-1- Standard SMILES
COc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCn3ccnc3)C2c2ccc(Cl)c(Cl)c2)cc1- InChIKey
AQKXZLOJEUYCSZ-LSDHQDQOSA-N- Molecular formula
- C24H21Cl2N3O4
- Average molar mass
- 486.3 g/mol
- Monoisotopic mass
- 485.0909115
Names & identifiers
- Preferred name
- 5-(3,4-dichlorophenyl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-4-(4-methoxybenzoyl)-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- (4E)-5-(3,4-dichlorophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
- English name
- 1-(3-(1H-imidazol-1-yl)propyl)-5-(3,4-dichlorophenyl)-3-hydroxy-4-(4-methoxybenzoyl)-1H-pyrrol-2(5H)-one
- Molecular formula
- C24H21Cl2N3O4
- Molecular weight
- 486.35
Names & synonyms
431930-05-15-(3,4-dichlorophenyl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-4-(4-methoxybenzoyl)-1,5-dihydro-2H-pyrrol-2-one5-(3,4-dichlorophenyl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-4-(4-methoxybenzoyl)-2,5-dihydro-1H-pyrrol-2-oneSTK983317AKOS016292885AB00116956-01AS-871/41369794Z568703495-(3,4-dichlorophenyl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-4-[(4-methoxyphenyl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one1-(3-(1H-imidazol-1-yl)propyl)-5-(3,4-dichlorophenyl)-3-hydroxy-4-(4-methoxybenzoyl)-1H-pyrrol-2(5H)-one2H-Pyrrol-2-one, 5-(3,4-dichlorophenyl)-1,5-dihydro-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-4-(4-methoxybenzoyl)-
Database identifiers
- CAS
431930-05-1- PubChem CID
- 5733249
- EC Number
- 134-477-2
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 756
Physicochemical properties
- Boiling point
- 738.2 · 738.2±60.0 °C(Predicted)
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- pka
- 4.5 · 4.50±1.00(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…