3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)pyridin-2-one

C18H18FN3O2 — CID 54682159

IUPAC3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)pyridin-2-one
SMILESO=c1c(Cc2ccc(F)cc2)c(O)ccn1CCCn1ccnc1
InChIInChI=1S/C18H18FN3O2/c19-15-4-2-14(3-5-15)12-16-17(23)6-10-22(18(16)24)9-1-8-21-11-7-20-13-21/h2-7,10-11,13,23H,1,8-9,12H2
InChIKeyBVBVYIJKWRZTSE-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.57
Rot. Bonds6

About 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)pyridin-2-one

3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)pyridin-2-one (PubChem CID 54682159) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)pyridin-2-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)pyridin-2-one
PubChem CID54682159
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)pyridin-2-one
SMILESO=c1c(Cc2ccc(F)cc2)c(O)ccn1CCCn1ccnc1
InChIInChI=1S/C18H18FN3O2/c19-15-4-2-14(3-5-15)12-16-17(23)6-10-22(18(16)24)9-1-8-21-11-7-20-13-21/h2-7,10-11,13,23H,1,8-9,12H2
InChIKeyBVBVYIJKWRZTSE-UHFFFAOYSA-N
XLogP2.57
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)pyridin-2-one?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)pyridin-2-one (CID 54682159) is 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)pyridin-2-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)pyridin-2-one?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)pyridin-2-one is O=c1c(Cc2ccc(F)cc2)c(O)ccn1CCCn1ccnc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)pyridin-2-one?
The InChIKey is BVBVYIJKWRZTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c19-15-4-2-14(3-5-15)12-16-17(23)6-10-22(18(16)24)9-1-8-21-11-7-20-13-21/h2-7,10-11,13,23H,1,8-9,12H2.
What are the key properties of 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)pyridin-2-one?
3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)pyridin-2-one has a molecular weight of 327.36 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)pyridin-2-one is sourced from PubChem (CID 54682159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).