2-(4-fluorophenyl)-3-(oxan-4-yl)imidazolidin-4-one

C14H17FN2O2 — CID 83256425

IUPAC2-(4-fluorophenyl)-3-(oxan-4-yl)imidazolidin-4-one
SMILESO=C1CNC(c2ccc(F)cc2)N1C1CCOCC1
InChIInChI=1S/C14H17FN2O2/c15-11-3-1-10(2-4-11)14-16-9-13(18)17(14)12-5-7-19-8-6-12/h1-4,12,14,16H,5-9H2
InChIKeyQNJWCHPANGUSFA-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.44
Rot. Bonds2

About 2-(4-fluorophenyl)-3-(oxan-4-yl)imidazolidin-4-one

2-(4-fluorophenyl)-3-(oxan-4-yl)imidazolidin-4-one (PubChem CID 83256425) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(oxan-4-yl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(oxan-4-yl)imidazolidin-4-one
PubChem CID83256425
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name2-(4-fluorophenyl)-3-(oxan-4-yl)imidazolidin-4-one
SMILESO=C1CNC(c2ccc(F)cc2)N1C1CCOCC1
InChIInChI=1S/C14H17FN2O2/c15-11-3-1-10(2-4-11)14-16-9-13(18)17(14)12-5-7-19-8-6-12/h1-4,12,14,16H,5-9H2
InChIKeyQNJWCHPANGUSFA-UHFFFAOYSA-N
XLogP1.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(oxan-4-yl)imidazolidin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-3-(oxan-4-yl)imidazolidin-4-one (CID 83256425) is 2-(4-fluorophenyl)-3-(oxan-4-yl)imidazolidin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(oxan-4-yl)imidazolidin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-3-(oxan-4-yl)imidazolidin-4-one is O=C1CNC(c2ccc(F)cc2)N1C1CCOCC1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(oxan-4-yl)imidazolidin-4-one?
The InChIKey is QNJWCHPANGUSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c15-11-3-1-10(2-4-11)14-16-9-13(18)17(14)12-5-7-19-8-6-12/h1-4,12,14,16H,5-9H2.
What are the key properties of 2-(4-fluorophenyl)-3-(oxan-4-yl)imidazolidin-4-one?
2-(4-fluorophenyl)-3-(oxan-4-yl)imidazolidin-4-one has a molecular weight of 264.30 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(oxan-4-yl)imidazolidin-4-one is sourced from PubChem (CID 83256425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).