3-[(4-fluorophenyl)methyl]-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione

C18H15FN2O2S — CID 2925774

IUPAC3-[(4-fluorophenyl)methyl]-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione
SMILESCSc1ccc(C=C2NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C18H15FN2O2S/c1-24-15-8-4-12(5-9-15)10-16-17(22)21(18(23)20-16)11-13-2-6-14(19)7-3-13/h2-10H,11H2,1H3,(H,20,23)
InChIKeyHAHXYKZAPNNUSE-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.64
Rot. Bonds4

About 3-[(4-fluorophenyl)methyl]-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione

3-[(4-fluorophenyl)methyl]-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 2925774) has the molecular formula C18H15FN2O2S and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID2925774
Molecular FormulaC18H15FN2O2S
Molecular Weight342.40 g/mol
Exact Mass342.08
IUPAC Name3-[(4-fluorophenyl)methyl]-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione
SMILESCSc1ccc(C=C2NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C18H15FN2O2S/c1-24-15-8-4-12(5-9-15)10-16-17(22)21(18(23)20-16)11-13-2-6-14(19)7-3-13/h2-10H,11H2,1H3,(H,20,23)
InChIKeyHAHXYKZAPNNUSE-UHFFFAOYSA-N
XLogP3.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

methyl 4-[(E)-[1-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoate
CID 6377358
(5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126073621
3-[(4-bromophenyl)methyl]-5-[(4-bromophenyl)methylidene]imidazolidine-2,4-dione
CID 3656604
(5E)-5-[[4-[(2R)-butan-2-yl]oxyphenyl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 7323823
3-[(4-fluorophenyl)methyl]-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 5198062
(5E)-3-[(4-fluorophenyl)methyl]-5-[(3-hydroxy-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 750602
3-[(4-fluorophenyl)methyl]-5-[(2-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 2927735
(5E)-3-[(4-fluorophenyl)methyl]-5-[(2,4,6-trimethylphenyl)methylidene]imidazolidine-2,4-dione
CID 7323600
(5E)-5-[(3,5-dichloro-4-ethoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 6385420
3-[(4-bromophenyl)methyl]-5-[(4-tert-butylphenyl)methylidene]imidazolidine-2,4-dione
CID 6620738
(5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2339217
4-[[(4Z)-4-benzylidene-2,5-dioxoimidazolidin-1-yl]methyl]-N-(4-fluorophenyl)benzamide
CID 18873943

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione (CID 2925774) is 3-[(4-fluorophenyl)methyl]-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione is CSc1ccc(C=C2NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is HAHXYKZAPNNUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2S/c1-24-15-8-4-12(5-9-15)10-16-17(22)21(18(23)20-16)11-13-2-6-14(19)7-3-13/h2-10H,11H2,1H3,(H,20,23).
What are the key properties of 3-[(4-fluorophenyl)methyl]-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione?
3-[(4-fluorophenyl)methyl]-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 342.40 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 2925774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).