6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(2-oxoimidazolidin-1-yl)propyl]-1H-pyridin-2-one

C22H22FN3O2 — CID 137477851

IUPAC6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(2-oxoimidazolidin-1-yl)propyl]-1H-pyridin-2-one
SMILESCC(C)C(c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O)N1CCNC1=O
InChIInChI=1S/C22H22FN3O2/c1-13(2)20(26-11-10-24-22(26)28)16-8-9-19(25-21(16)27)15-7-6-14-4-3-5-18(23)17(14)12-15/h3-9,12-13,20H,10-11H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyRFIAFDZWJKORAH-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.06
Rot. Bonds4

About 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(2-oxoimidazolidin-1-yl)propyl]-1H-pyridin-2-one

6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(2-oxoimidazolidin-1-yl)propyl]-1H-pyridin-2-one (PubChem CID 137477851) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(2-oxoimidazolidin-1-yl)propyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(2-oxoimidazolidin-1-yl)propyl]-1H-pyridin-2-one
PubChem CID137477851
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(2-oxoimidazolidin-1-yl)propyl]-1H-pyridin-2-one
SMILESCC(C)C(c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O)N1CCNC1=O
InChIInChI=1S/C22H22FN3O2/c1-13(2)20(26-11-10-24-22(26)28)16-8-9-19(25-21(16)27)15-7-6-14-4-3-5-18(23)17(14)12-15/h3-9,12-13,20H,10-11H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyRFIAFDZWJKORAH-UHFFFAOYSA-N
XLogP4.06
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(2-oxoimidazolidin-1-yl)propyl]-1H-pyridin-2-one?
The IUPAC name of 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(2-oxoimidazolidin-1-yl)propyl]-1H-pyridin-2-one (CID 137477851) is 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(2-oxoimidazolidin-1-yl)propyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(2-oxoimidazolidin-1-yl)propyl]-1H-pyridin-2-one?
The canonical SMILES for 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(2-oxoimidazolidin-1-yl)propyl]-1H-pyridin-2-one is CC(C)C(c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O)N1CCNC1=O.
What is the InChIKey of 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(2-oxoimidazolidin-1-yl)propyl]-1H-pyridin-2-one?
The InChIKey is RFIAFDZWJKORAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-13(2)20(26-11-10-24-22(26)28)16-8-9-19(25-21(16)27)15-7-6-14-4-3-5-18(23)17(14)12-15/h3-9,12-13,20H,10-11H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(2-oxoimidazolidin-1-yl)propyl]-1H-pyridin-2-one?
6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(2-oxoimidazolidin-1-yl)propyl]-1H-pyridin-2-one has a molecular weight of 379.44 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(2-oxoimidazolidin-1-yl)propyl]-1H-pyridin-2-one is sourced from PubChem (CID 137477851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).