(5E)-5-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-3-ethylimidazolidine-2,4-dione

C16H12ClN3O5 — CID 126241446

IUPAC(5E)-5-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-3-ethylimidazolidine-2,4-dione
SMILESCCN1C(=O)N/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O
InChIInChI=1S/C16H12ClN3O5/c1-2-19-15(21)12(18-16(19)22)8-10-4-6-14(25-10)11-5-3-9(17)7-13(11)20(23)24/h3-8H,2H2,1H3,(H,18,22)/b12-8+
InChIKeyAVOAMADMOQXONZ-XYOKQWHBSA-N
MW361.74 g/mol
LogP3.42
Rot. Bonds4

About (5E)-5-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-3-ethylimidazolidine-2,4-dione

(5E)-5-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-3-ethylimidazolidine-2,4-dione (PubChem CID 126241446) has the molecular formula C16H12ClN3O5 and a molecular weight of 361.74 g/mol. Its IUPAC name is (5E)-5-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-3-ethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-3-ethylimidazolidine-2,4-dione
PubChem CID126241446
Molecular FormulaC16H12ClN3O5
Molecular Weight361.74 g/mol
Exact Mass361.05
IUPAC Name(5E)-5-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-3-ethylimidazolidine-2,4-dione
SMILESCCN1C(=O)N/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O
InChIInChI=1S/C16H12ClN3O5/c1-2-19-15(21)12(18-16(19)22)8-10-4-6-14(25-10)11-5-3-9(17)7-13(11)20(23)24/h3-8H,2H2,1H3,(H,18,22)/b12-8+
InChIKeyAVOAMADMOQXONZ-XYOKQWHBSA-N
XLogP3.42
TPSA105.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.74
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5Z)-3-ethyl-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione
CID 126243794
(5E)-5-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
CID 126246526
(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-3-propylimidazolidine-2,4-dione
CID 126243676
5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-ethylimidazolidine-2,4-dione
CID 957263
(3Z)-6-chloro-3-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-1H-indol-2-one
CID 18270118
4-chloro-3-[5-[(E)-(2,5-dioxo-1-propylimidazolidin-4-ylidene)methyl]furan-2-yl]benzoate
CID 7341547
5-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-3-[(4-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 71951159
2-(4-chloro-2-nitrophenyl)-5-ethylfuran
CID 121010413
(5E)-5-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-1-(2,5-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 126227516
(5E)-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126079832
N-(3-methylphenyl)-2-[(4Z)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126113515
(5E)-1-(4-chlorophenyl)-5-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 1362929

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-3-ethylimidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-3-ethylimidazolidine-2,4-dione (CID 126241446) is (5E)-5-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-3-ethylimidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-3-ethylimidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-3-ethylimidazolidine-2,4-dione is CCN1C(=O)N/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O.
What is the InChIKey of (5E)-5-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-3-ethylimidazolidine-2,4-dione?
The InChIKey is AVOAMADMOQXONZ-XYOKQWHBSA-N. The full InChI is InChI=1S/C16H12ClN3O5/c1-2-19-15(21)12(18-16(19)22)8-10-4-6-14(25-10)11-5-3-9(17)7-13(11)20(23)24/h3-8H,2H2,1H3,(H,18,22)/b12-8+.
What are the key properties of (5E)-5-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-3-ethylimidazolidine-2,4-dione?
(5E)-5-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-3-ethylimidazolidine-2,4-dione has a molecular weight of 361.74 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-3-ethylimidazolidine-2,4-dione is sourced from PubChem (CID 126241446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).