1-[2-(2-fluoro-5-methylphenoxy)ethyl]imidazolidin-2-one

C12H15FN2O2 — CID 64854131

IUPAC1-[2-(2-fluoro-5-methylphenoxy)ethyl]imidazolidin-2-one
SMILESCc1ccc(F)c(OCCN2CCNC2=O)c1
InChIInChI=1S/C12H15FN2O2/c1-9-2-3-10(13)11(8-9)17-7-6-15-5-4-14-12(15)16/h2-3,8H,4-7H2,1H3,(H,14,16)
InChIKeyXUQYGIGSRIJHMB-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.54
Rot. Bonds4

About 1-[2-(2-fluoro-5-methylphenoxy)ethyl]imidazolidin-2-one

1-[2-(2-fluoro-5-methylphenoxy)ethyl]imidazolidin-2-one (PubChem CID 64854131) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 1-[2-(2-fluoro-5-methylphenoxy)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(2-fluoro-5-methylphenoxy)ethyl]imidazolidin-2-one
PubChem CID64854131
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name1-[2-(2-fluoro-5-methylphenoxy)ethyl]imidazolidin-2-one
SMILESCc1ccc(F)c(OCCN2CCNC2=O)c1
InChIInChI=1S/C12H15FN2O2/c1-9-2-3-10(13)11(8-9)17-7-6-15-5-4-14-12(15)16/h2-3,8H,4-7H2,1H3,(H,14,16)
InChIKeyXUQYGIGSRIJHMB-UHFFFAOYSA-N
XLogP1.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoro-5-methylphenoxy)ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(2-fluoro-5-methylphenoxy)ethyl]imidazolidin-2-one (CID 64854131) is 1-[2-(2-fluoro-5-methylphenoxy)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(2-fluoro-5-methylphenoxy)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(2-fluoro-5-methylphenoxy)ethyl]imidazolidin-2-one is Cc1ccc(F)c(OCCN2CCNC2=O)c1.
What is the InChIKey of 1-[2-(2-fluoro-5-methylphenoxy)ethyl]imidazolidin-2-one?
The InChIKey is XUQYGIGSRIJHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-9-2-3-10(13)11(8-9)17-7-6-15-5-4-14-12(15)16/h2-3,8H,4-7H2,1H3,(H,14,16).
What are the key properties of 1-[2-(2-fluoro-5-methylphenoxy)ethyl]imidazolidin-2-one?
1-[2-(2-fluoro-5-methylphenoxy)ethyl]imidazolidin-2-one has a molecular weight of 238.26 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoro-5-methylphenoxy)ethyl]imidazolidin-2-one is sourced from PubChem (CID 64854131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).