6-[5-(4-fluorophenyl)-5-piperidin-4-ylimidazol-4-yl]-1H-pyrimidin-2-one

C18H18FN5O — CID 22464164

IUPAC6-[5-(4-fluorophenyl)-5-piperidin-4-ylimidazol-4-yl]-1H-pyrimidin-2-one
SMILESO=c1nccc(C2=NC=NC2(c2ccc(F)cc2)C2CCNCC2)[nH]1
InChIInChI=1S/C18H18FN5O/c19-14-3-1-12(2-4-14)18(13-5-8-20-9-6-13)16(22-11-23-18)15-7-10-21-17(25)24-15/h1-4,7,10-11,13,20H,5-6,8-9H2,(H,21,24,25)
InChIKeyNBGSRADWGNJBBE-UHFFFAOYSA-N
MW339.37 g/mol
LogP1.64
Rot. Bonds3

About 6-[5-(4-fluorophenyl)-5-piperidin-4-ylimidazol-4-yl]-1H-pyrimidin-2-one

6-[5-(4-fluorophenyl)-5-piperidin-4-ylimidazol-4-yl]-1H-pyrimidin-2-one (PubChem CID 22464164) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is 6-[5-(4-fluorophenyl)-5-piperidin-4-ylimidazol-4-yl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[5-(4-fluorophenyl)-5-piperidin-4-ylimidazol-4-yl]-1H-pyrimidin-2-one
PubChem CID22464164
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name6-[5-(4-fluorophenyl)-5-piperidin-4-ylimidazol-4-yl]-1H-pyrimidin-2-one
SMILESO=c1nccc(C2=NC=NC2(c2ccc(F)cc2)C2CCNCC2)[nH]1
InChIInChI=1S/C18H18FN5O/c19-14-3-1-12(2-4-14)18(13-5-8-20-9-6-13)16(22-11-23-18)15-7-10-21-17(25)24-15/h1-4,7,10-11,13,20H,5-6,8-9H2,(H,21,24,25)
InChIKeyNBGSRADWGNJBBE-UHFFFAOYSA-N
XLogP1.64
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-fluorophenyl)-5-piperidin-4-ylimidazol-4-yl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[5-(4-fluorophenyl)-5-piperidin-4-ylimidazol-4-yl]-1H-pyrimidin-2-one (CID 22464164) is 6-[5-(4-fluorophenyl)-5-piperidin-4-ylimidazol-4-yl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[5-(4-fluorophenyl)-5-piperidin-4-ylimidazol-4-yl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[5-(4-fluorophenyl)-5-piperidin-4-ylimidazol-4-yl]-1H-pyrimidin-2-one is O=c1nccc(C2=NC=NC2(c2ccc(F)cc2)C2CCNCC2)[nH]1.
What is the InChIKey of 6-[5-(4-fluorophenyl)-5-piperidin-4-ylimidazol-4-yl]-1H-pyrimidin-2-one?
The InChIKey is NBGSRADWGNJBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c19-14-3-1-12(2-4-14)18(13-5-8-20-9-6-13)16(22-11-23-18)15-7-10-21-17(25)24-15/h1-4,7,10-11,13,20H,5-6,8-9H2,(H,21,24,25).
What are the key properties of 6-[5-(4-fluorophenyl)-5-piperidin-4-ylimidazol-4-yl]-1H-pyrimidin-2-one?
6-[5-(4-fluorophenyl)-5-piperidin-4-ylimidazol-4-yl]-1H-pyrimidin-2-one has a molecular weight of 339.37 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-fluorophenyl)-5-piperidin-4-ylimidazol-4-yl]-1H-pyrimidin-2-one is sourced from PubChem (CID 22464164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).