5-[[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione

C22H20FN3O3 — CID 137477629

IUPAC5-[[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)C1(Cc2ccc(-c3ccc4cccc(F)c4c3)[nH]c2=O)NC(=O)NC1=O
InChIInChI=1S/C22H20FN3O3/c1-12(2)22(20(28)25-21(29)26-22)11-15-8-9-18(24-19(15)27)14-7-6-13-4-3-5-17(23)16(13)10-14/h3-10,12H,11H2,1-2H3,(H,24,27)(H2,25,26,28,29)
InChIKeySWUNDTAEXGHOJH-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.11
Rot. Bonds4

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

5-[[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione (PubChem CID 137477629) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is 5-[[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione
PubChem CID137477629
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC Name5-[[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)C1(Cc2ccc(-c3ccc4cccc(F)c4c3)[nH]c2=O)NC(=O)NC1=O
InChIInChI=1S/C22H20FN3O3/c1-12(2)22(20(28)25-21(29)26-22)11-15-8-9-18(24-19(15)27)14-7-6-13-4-3-5-17(23)16(13)10-14/h3-10,12H,11H2,1-2H3,(H,24,27)(H2,25,26,28,29)
InChIKeySWUNDTAEXGHOJH-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
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-[[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of 5-[[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione (CID 137477629) is 5-[[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-[[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione is CC(C)C1(Cc2ccc(-c3ccc4cccc(F)c4c3)[nH]c2=O)NC(=O)NC1=O.
What is the InChIKey of 5-[[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is SWUNDTAEXGHOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3/c1-12(2)22(20(28)25-21(29)26-22)11-15-8-9-18(24-19(15)27)14-7-6-13-4-3-5-17(23)16(13)10-14/h3-10,12H,11H2,1-2H3,(H,24,27)(H2,25,26,28,29).
What are the key properties of 5-[[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione?
5-[[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 393.42 g/mol, XLogP of 3.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 137477629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).