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

C17H16FN3O4 — CID 71585453

IUPAC5-(4-fluoro-3-methoxyphenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione
SMILESCOc1cc(C2(Cn3cccc(C)c3=O)NC(=O)NC2=O)ccc1F
InChIInChI=1S/C17H16FN3O4/c1-10-4-3-7-21(14(10)22)9-17(15(23)19-16(24)20-17)11-5-6-12(18)13(8-11)25-2/h3-8H,9H2,1-2H3,(H2,19,20,23,24)
InChIKeyBPCZVNJAVFCDQI-UHFFFAOYSA-N
MW345.33 g/mol
LogP1.04
Rot. Bonds4

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

5-(4-fluoro-3-methoxyphenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione (PubChem CID 71585453) has the molecular formula C17H16FN3O4 and a molecular weight of 345.33 g/mol. Its IUPAC name is 5-(4-fluoro-3-methoxyphenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-fluoro-3-methoxyphenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione
PubChem CID71585453
Molecular FormulaC17H16FN3O4
Molecular Weight345.33 g/mol
Exact Mass345.11
IUPAC Name5-(4-fluoro-3-methoxyphenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione
SMILESCOc1cc(C2(Cn3cccc(C)c3=O)NC(=O)NC2=O)ccc1F
InChIInChI=1S/C17H16FN3O4/c1-10-4-3-7-21(14(10)22)9-17(15(23)19-16(24)20-17)11-5-6-12(18)13(8-11)25-2/h3-8H,9H2,1-2H3,(H2,19,20,23,24)
InChIKeyBPCZVNJAVFCDQI-UHFFFAOYSA-N
XLogP1.04
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 51.04
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-fluoro-3-methoxyphenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(4-fluoro-3-methoxyphenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione (CID 71585453) is 5-(4-fluoro-3-methoxyphenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-fluoro-3-methoxyphenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(4-fluoro-3-methoxyphenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione is COc1cc(C2(Cn3cccc(C)c3=O)NC(=O)NC2=O)ccc1F.
What is the InChIKey of 5-(4-fluoro-3-methoxyphenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione?
The InChIKey is BPCZVNJAVFCDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O4/c1-10-4-3-7-21(14(10)22)9-17(15(23)19-16(24)20-17)11-5-6-12(18)13(8-11)25-2/h3-8H,9H2,1-2H3,(H2,19,20,23,24).
What are the key properties of 5-(4-fluoro-3-methoxyphenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione?
5-(4-fluoro-3-methoxyphenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione has a molecular weight of 345.33 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-methoxyphenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 71585453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).