5-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]imidazolidine-2,4-dione

C22H20FN3O3 — CID 137478002

IUPAC5-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]imidazolidine-2,4-dione
SMILESCC(C)C(c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O)C1NC(=O)NC1=O
InChIInChI=1S/C22H20FN3O3/c1-11(2)18(19-21(28)26-22(29)25-19)14-8-9-17(24-20(14)27)13-7-6-12-4-3-5-16(23)15(12)10-13/h3-11,18-19H,1-2H3,(H,24,27)(H2,25,26,28,29)
InChIKeyBDABWUWFXFDEHQ-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.28
Rot. Bonds4

About 5-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]imidazolidine-2,4-dione

5-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]imidazolidine-2,4-dione (PubChem CID 137478002) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is 5-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]imidazolidine-2,4-dione
PubChem CID137478002
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC Name5-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]imidazolidine-2,4-dione
SMILESCC(C)C(c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O)C1NC(=O)NC1=O
InChIInChI=1S/C22H20FN3O3/c1-11(2)18(19-21(28)26-22(29)25-19)14-8-9-17(24-20(14)27)13-7-6-12-4-3-5-16(23)15(12)10-13/h3-11,18-19H,1-2H3,(H,24,27)(H2,25,26,28,29)
InChIKeyBDABWUWFXFDEHQ-UHFFFAOYSA-N
XLogP3.28
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]imidazolidine-2,4-dione (CID 137478002) is 5-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]imidazolidine-2,4-dione is CC(C)C(c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O)C1NC(=O)NC1=O.
What is the InChIKey of 5-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]imidazolidine-2,4-dione?
The InChIKey is BDABWUWFXFDEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3/c1-11(2)18(19-21(28)26-22(29)25-19)14-8-9-17(24-20(14)27)13-7-6-12-4-3-5-16(23)15(12)10-13/h3-11,18-19H,1-2H3,(H,24,27)(H2,25,26,28,29).
What are the key properties of 5-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]imidazolidine-2,4-dione?
5-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]imidazolidine-2,4-dione has a molecular weight of 393.42 g/mol, XLogP of 3.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 137478002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).