5-(4-fluorophenyl)-5-[(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)methyl]imidazolidine-2,4-dione

C17H19FN4O3 — CID 46881487

IUPAC5-(4-fluorophenyl)-5-[(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CN2CC3CCCCN3C2=O)(c2ccc(F)cc2)N1
InChIInChI=1S/C17H19FN4O3/c18-12-6-4-11(5-7-12)17(14(23)19-15(24)20-17)10-21-9-13-3-1-2-8-22(13)16(21)25/h4-7,13H,1-3,8-10H2,(H2,19,20,23,24)
InChIKeyUKGIAXIYHPXKEB-UHFFFAOYSA-N
MW346.36 g/mol
LogP1.15
Rot. Bonds3

About 5-(4-fluorophenyl)-5-[(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)methyl]imidazolidine-2,4-dione

5-(4-fluorophenyl)-5-[(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 46881487) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-5-[(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-fluorophenyl)-5-[(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID46881487
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC Name5-(4-fluorophenyl)-5-[(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CN2CC3CCCCN3C2=O)(c2ccc(F)cc2)N1
InChIInChI=1S/C17H19FN4O3/c18-12-6-4-11(5-7-12)17(14(23)19-15(24)20-17)10-21-9-13-3-1-2-8-22(13)16(21)25/h4-7,13H,1-3,8-10H2,(H2,19,20,23,24)
InChIKeyUKGIAXIYHPXKEB-UHFFFAOYSA-N
XLogP1.15
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(4-fluorophenyl)-5-[(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)methyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

2-(2,5-Dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 2107999
2,4-Imidazolidinedione, 5,5-diphenyl-3-(3-(1-piperidinyl)propyl)-
CID 3041343
(5S)-3-Benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 40633600
3-{4-Oxo-4-[(2s)-2-(Pyrrolidin-1-Ylcarbonyl)pyrrolidin-1-Yl]butyl}-5,5-Diphenylimidazolidine-2,4-Dione
CID 25155838
3-Hexyl-5,5-diphenylimidazolidine-2,4-dione
CID 24860362
3-Benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 4804492
(R)-5-((6-fluoro-1-oxoisoindolin-2-yl)methyl)-5-(4-(6-oxo-1,6-dihydropyridin-3-yl)phenyl)imidazolidine-2,4-dione
CID 46933693
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2087814
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-methylacetamide
CID 2091432
2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 5034100
(5R)-5-[4-(2,4-difluorophenyl)phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 49864990
3-Ethyl-5,5-diphenylhydantoin
CID 602103

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-5-[(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(4-fluorophenyl)-5-[(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)methyl]imidazolidine-2,4-dione (CID 46881487) is 5-(4-fluorophenyl)-5-[(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-fluorophenyl)-5-[(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(4-fluorophenyl)-5-[(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)methyl]imidazolidine-2,4-dione is O=C1NC(=O)C(CN2CC3CCCCN3C2=O)(c2ccc(F)cc2)N1.
What is the InChIKey of 5-(4-fluorophenyl)-5-[(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is UKGIAXIYHPXKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3/c18-12-6-4-11(5-7-12)17(14(23)19-15(24)20-17)10-21-9-13-3-1-2-8-22(13)16(21)25/h4-7,13H,1-3,8-10H2,(H2,19,20,23,24).
What are the key properties of 5-(4-fluorophenyl)-5-[(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)methyl]imidazolidine-2,4-dione?
5-(4-fluorophenyl)-5-[(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 346.36 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-5-[(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 46881487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).