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

C22H17ClN2O3S — CID 126253792

IUPAC(5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
SMILESCc1ccc(CN2C(=O)N/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)C2=O)cc1
InChIInChI=1S/C22H17ClN2O3S/c1-14-2-4-15(5-3-14)13-25-21(26)19(24-22(25)27)12-17-8-11-20(28-17)29-18-9-6-16(23)7-10-18/h2-12H,13H2,1H3,(H,24,27)/b19-12+
InChIKeyDQYULSOOIISFKO-XDHOZWIPSA-N
MW424.91 g/mol
LogP5.49
Rot. Bonds5

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

(5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione (PubChem CID 126253792) has the molecular formula C22H17ClN2O3S and a molecular weight of 424.91 g/mol. Its IUPAC name is (5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
PubChem CID126253792
Molecular FormulaC22H17ClN2O3S
Molecular Weight424.91 g/mol
Exact Mass424.06
IUPAC Name(5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
SMILESCc1ccc(CN2C(=O)N/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)C2=O)cc1
InChIInChI=1S/C22H17ClN2O3S/c1-14-2-4-15(5-3-14)13-25-21(26)19(24-22(25)27)12-17-8-11-20(28-17)29-18-9-6-16(23)7-10-18/h2-12H,13H2,1H3,(H,24,27)/b19-12+
InChIKeyDQYULSOOIISFKO-XDHOZWIPSA-N
XLogP5.49
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.91
LogP ≤ 55.49
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

2-[4-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 3795061
(5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126073621
(5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 2190759
(5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-methylimidazolidine-2,4-dione
CID 126198904
(5E)-3-methyl-5-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]imidazolidine-2,4-dione
CID 126199492
(5Z)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126237362
(5E)-5-[(5-bromofuran-2-yl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126244506
5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione
CID 5225466
(5E)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-3-propylimidazolidine-2,4-dione
CID 126239214
(5E)-5-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126236673
(5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione
CID 2271798
(5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 92963130

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione (CID 126253792) is (5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione is Cc1ccc(CN2C(=O)N/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)C2=O)cc1.
What is the InChIKey of (5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is DQYULSOOIISFKO-XDHOZWIPSA-N. The full InChI is InChI=1S/C22H17ClN2O3S/c1-14-2-4-15(5-3-14)13-25-21(26)19(24-22(25)27)12-17-8-11-20(28-17)29-18-9-6-16(23)7-10-18/h2-12H,13H2,1H3,(H,24,27)/b19-12+.
What are the key properties of (5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione?
(5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 424.91 g/mol, XLogP of 5.49, 5 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-[(4-methylphenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 126253792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).