(5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-methylimidazolidine-2,4-dione

C15H11ClN2O3S — CID 126198904

IUPAC(5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)N/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C1=O
InChIInChI=1S/C15H11ClN2O3S/c1-18-14(19)12(17-15(18)20)8-10-4-7-13(21-10)22-11-5-2-9(16)3-6-11/h2-8H,1H3,(H,17,20)/b12-8+
InChIKeyDZZBCWQRAQDVGE-XYOKQWHBSA-N
MW334.78 g/mol
LogP3.61
Rot. Bonds3

About (5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-methylimidazolidine-2,4-dione

(5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-methylimidazolidine-2,4-dione (PubChem CID 126198904) has the molecular formula C15H11ClN2O3S and a molecular weight of 334.78 g/mol. Its IUPAC name is (5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-methylimidazolidine-2,4-dione
PubChem CID126198904
Molecular FormulaC15H11ClN2O3S
Molecular Weight334.78 g/mol
Exact Mass334.02
IUPAC Name(5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)N/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C1=O
InChIInChI=1S/C15H11ClN2O3S/c1-18-14(19)12(17-15(18)20)8-10-4-7-13(21-10)22-11-5-2-9(16)3-6-11/h2-8H,1H3,(H,17,20)/b12-8+
InChIKeyDZZBCWQRAQDVGE-XYOKQWHBSA-N
XLogP3.61
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-3-methyl-5-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]imidazolidine-2,4-dione
CID 126199492
(5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126253792
(5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 2190759
2-[4-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 3795061
(5E)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-3-propylimidazolidine-2,4-dione
CID 126239214
(5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 6529363
(5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 92963130
(5E)-3-methyl-5-[(5-phenylfuran-2-yl)methylidene]imidazolidine-2,4-dione
CID 126199485
5-(4-chlorophenyl)sulfanylfuran-2-carbaldehyde
CID 3366892
1-(4-chlorophenyl)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 992797
5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 3619132
(5E)-1-(3-chloro-2-methylphenyl)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 126253454

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-methylimidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-methylimidazolidine-2,4-dione (CID 126198904) is (5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-methylimidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-methylimidazolidine-2,4-dione is CN1C(=O)N/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C1=O.
What is the InChIKey of (5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-methylimidazolidine-2,4-dione?
The InChIKey is DZZBCWQRAQDVGE-XYOKQWHBSA-N. The full InChI is InChI=1S/C15H11ClN2O3S/c1-18-14(19)12(17-15(18)20)8-10-4-7-13(21-10)22-11-5-2-9(16)3-6-11/h2-8H,1H3,(H,17,20)/b12-8+.
What are the key properties of (5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-methylimidazolidine-2,4-dione?
(5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-methylimidazolidine-2,4-dione has a molecular weight of 334.78 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 126198904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).