5-(4-methoxyphenyl)-5-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]imidazolidine-2,4-dione

C17H14F3N3O4 — CID 118150269

IUPAC5-(4-methoxyphenyl)-5-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]imidazolidine-2,4-dione
SMILESCOc1ccc(C2(Cn3cccc(C(F)(F)F)c3=O)NC(=O)NC2=O)cc1
InChIInChI=1S/C17H14F3N3O4/c1-27-11-6-4-10(5-7-11)16(14(25)21-15(26)22-16)9-23-8-2-3-12(13(23)24)17(18,19)20/h2-8H,9H2,1H3,(H2,21,22,25,26)
InChIKeyOZFQAVFKMSXEDI-UHFFFAOYSA-N
MW381.31 g/mol
LogP1.61
Rot. Bonds4

About 5-(4-methoxyphenyl)-5-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]imidazolidine-2,4-dione

5-(4-methoxyphenyl)-5-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]imidazolidine-2,4-dione (PubChem CID 118150269) has the molecular formula C17H14F3N3O4 and a molecular weight of 381.31 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-5-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-5-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]imidazolidine-2,4-dione
PubChem CID118150269
Molecular FormulaC17H14F3N3O4
Molecular Weight381.31 g/mol
Exact Mass381.09
IUPAC Name5-(4-methoxyphenyl)-5-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]imidazolidine-2,4-dione
SMILESCOc1ccc(C2(Cn3cccc(C(F)(F)F)c3=O)NC(=O)NC2=O)cc1
InChIInChI=1S/C17H14F3N3O4/c1-27-11-6-4-10(5-7-11)16(14(25)21-15(26)22-16)9-23-8-2-3-12(13(23)24)17(18,19)20/h2-8H,9H2,1H3,(H2,21,22,25,26)
InChIKeyOZFQAVFKMSXEDI-UHFFFAOYSA-N
XLogP1.61
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-5-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(4-methoxyphenyl)-5-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]imidazolidine-2,4-dione (CID 118150269) is 5-(4-methoxyphenyl)-5-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-methoxyphenyl)-5-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(4-methoxyphenyl)-5-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]imidazolidine-2,4-dione is COc1ccc(C2(Cn3cccc(C(F)(F)F)c3=O)NC(=O)NC2=O)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-5-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]imidazolidine-2,4-dione?
The InChIKey is OZFQAVFKMSXEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O4/c1-27-11-6-4-10(5-7-11)16(14(25)21-15(26)22-16)9-23-8-2-3-12(13(23)24)17(18,19)20/h2-8H,9H2,1H3,(H2,21,22,25,26).
What are the key properties of 5-(4-methoxyphenyl)-5-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]imidazolidine-2,4-dione?
5-(4-methoxyphenyl)-5-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]imidazolidine-2,4-dione has a molecular weight of 381.31 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-5-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 118150269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).