4-(5-{[1-(4-Chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid
Basic information
- CAS
5550-33-4- Standard SMILES
O=C(O)c1ccc(-c2ccc(C=C3NC(=O)N(c4ccc(Cl)cc4)C3=O)o2)cc1- InChIKey
IXSBDSKRJJIPHK-UHFFFAOYSA-N- Molecular formula
- C21H13ClN2O5
- Average molar mass
- 408.8 g/mol
- Monoisotopic mass
- 408.0512992
Names & identifiers
- Preferred name
- 4-(5-{[1-(4-Chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid
- IUPAC
- 4-[5-[[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzoic acid
- English name
- 1,2-Pyrrolidinedicarboximide,2-methyl-5-oxo-(7CI,8CI)
- Molecular formula
- C7H8N2O3
- Molecular weight
- 168.15
Names & synonyms
5550-33-4AC1NQ9QDDTXSID404107654-(5-{[1-(4-Chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid1,2-Pyrrolidinedicarboximide,2-methyl-5-oxo-(7CI,8CI)1H-Pyrrolo[1,2-c]imidazole-1,3,5(2H,6H)-trione, dihydro-7a-methyl-
Database identifiers
- CAS
5550-33-4- PubChem CID
- 5217643
- DTXSID
DTXSID40410765
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 99.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 695
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Compound notes
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