6-(8-fluoronaphthalen-2-yl)-3-[1-(1H-imidazol-2-yl)-2-methylpropyl]-1H-pyridin-2-one

C22H20FN3O — CID 137477566

IUPAC6-(8-fluoronaphthalen-2-yl)-3-[1-(1H-imidazol-2-yl)-2-methylpropyl]-1H-pyridin-2-one
SMILESCC(C)C(c1ncc[nH]1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C22H20FN3O/c1-13(2)20(21-24-10-11-25-21)16-8-9-19(26-22(16)27)15-7-6-14-4-3-5-18(23)17(14)12-15/h3-13,20H,1-2H3,(H,24,25)(H,26,27)
InChIKeyFZSXKLVRPIDLES-UHFFFAOYSA-N
MW361.42 g/mol
LogP4.85
Rot. Bonds4

About 6-(8-fluoronaphthalen-2-yl)-3-[1-(1H-imidazol-2-yl)-2-methylpropyl]-1H-pyridin-2-one

6-(8-fluoronaphthalen-2-yl)-3-[1-(1H-imidazol-2-yl)-2-methylpropyl]-1H-pyridin-2-one (PubChem CID 137477566) has the molecular formula C22H20FN3O and a molecular weight of 361.42 g/mol. Its IUPAC name is 6-(8-fluoronaphthalen-2-yl)-3-[1-(1H-imidazol-2-yl)-2-methylpropyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(8-fluoronaphthalen-2-yl)-3-[1-(1H-imidazol-2-yl)-2-methylpropyl]-1H-pyridin-2-one
PubChem CID137477566
Molecular FormulaC22H20FN3O
Molecular Weight361.42 g/mol
Exact Mass361.16
IUPAC Name6-(8-fluoronaphthalen-2-yl)-3-[1-(1H-imidazol-2-yl)-2-methylpropyl]-1H-pyridin-2-one
SMILESCC(C)C(c1ncc[nH]1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C22H20FN3O/c1-13(2)20(21-24-10-11-25-21)16-8-9-19(26-22(16)27)15-7-6-14-4-3-5-18(23)17(14)12-15/h3-13,20H,1-2H3,(H,24,25)(H,26,27)
InChIKeyFZSXKLVRPIDLES-UHFFFAOYSA-N
XLogP4.85
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.85
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-[1-(1H-imidazol-2-yl)-2-methylpropyl]-1H-pyridin-2-one?
The IUPAC name of 6-(8-fluoronaphthalen-2-yl)-3-[1-(1H-imidazol-2-yl)-2-methylpropyl]-1H-pyridin-2-one (CID 137477566) is 6-(8-fluoronaphthalen-2-yl)-3-[1-(1H-imidazol-2-yl)-2-methylpropyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-(8-fluoronaphthalen-2-yl)-3-[1-(1H-imidazol-2-yl)-2-methylpropyl]-1H-pyridin-2-one?
The canonical SMILES for 6-(8-fluoronaphthalen-2-yl)-3-[1-(1H-imidazol-2-yl)-2-methylpropyl]-1H-pyridin-2-one is CC(C)C(c1ncc[nH]1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O.
What is the InChIKey of 6-(8-fluoronaphthalen-2-yl)-3-[1-(1H-imidazol-2-yl)-2-methylpropyl]-1H-pyridin-2-one?
The InChIKey is FZSXKLVRPIDLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O/c1-13(2)20(21-24-10-11-25-21)16-8-9-19(26-22(16)27)15-7-6-14-4-3-5-18(23)17(14)12-15/h3-13,20H,1-2H3,(H,24,25)(H,26,27).
What are the key properties of 6-(8-fluoronaphthalen-2-yl)-3-[1-(1H-imidazol-2-yl)-2-methylpropyl]-1H-pyridin-2-one?
6-(8-fluoronaphthalen-2-yl)-3-[1-(1H-imidazol-2-yl)-2-methylpropyl]-1H-pyridin-2-one has a molecular weight of 361.42 g/mol, XLogP of 4.85, 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-[1-(1H-imidazol-2-yl)-2-methylpropyl]-1H-pyridin-2-one is sourced from PubChem (CID 137477566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).