(5S)-5-methyl-1-[[6-(2,4,6-trifluorophenoxy)-3-pyridinyl]methyl]imidazolidin-2-one

C16H14F3N3O2 — CID 166565022

IUPAC(5S)-5-methyl-1-[[6-(2,4,6-trifluorophenoxy)-3-pyridinyl]methyl]imidazolidin-2-one
SMILESC[C@H]1CNC(=O)N1Cc1ccc(Oc2c(F)cc(F)cc2F)nc1
InChIInChI=1S/C16H14F3N3O2/c1-9-6-21-16(23)22(9)8-10-2-3-14(20-7-10)24-15-12(18)4-11(17)5-13(15)19/h2-5,7,9H,6,8H2,1H3,(H,21,23)/t9-/m0/s1
InChIKeyCSVXBCBEGOLIBI-VIFPVBQESA-N
MW337.30 g/mol
LogP3.20
Rot. Bonds4

About (5S)-5-methyl-1-[[6-(2,4,6-trifluorophenoxy)-3-pyridinyl]methyl]imidazolidin-2-one

(5S)-5-methyl-1-[[6-(2,4,6-trifluorophenoxy)-3-pyridinyl]methyl]imidazolidin-2-one (PubChem CID 166565022) has the molecular formula C16H14F3N3O2 and a molecular weight of 337.30 g/mol. Its IUPAC name is (5S)-5-methyl-1-[[6-(2,4,6-trifluorophenoxy)-3-pyridinyl]methyl]imidazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-methyl-1-[[6-(2,4,6-trifluorophenoxy)-3-pyridinyl]methyl]imidazolidin-2-one
PubChem CID166565022
Molecular FormulaC16H14F3N3O2
Molecular Weight337.30 g/mol
Exact Mass337.10
IUPAC Name(5S)-5-methyl-1-[[6-(2,4,6-trifluorophenoxy)-3-pyridinyl]methyl]imidazolidin-2-one
SMILESC[C@H]1CNC(=O)N1Cc1ccc(Oc2c(F)cc(F)cc2F)nc1
InChIInChI=1S/C16H14F3N3O2/c1-9-6-21-16(23)22(9)8-10-2-3-14(20-7-10)24-15-12(18)4-11(17)5-13(15)19/h2-5,7,9H,6,8H2,1H3,(H,21,23)/t9-/m0/s1
InChIKeyCSVXBCBEGOLIBI-VIFPVBQESA-N
XLogP3.20
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-1-[[6-(2,4,6-trifluorophenoxy)-3-pyridinyl]methyl]imidazolidin-2-one?
The IUPAC name of (5S)-5-methyl-1-[[6-(2,4,6-trifluorophenoxy)-3-pyridinyl]methyl]imidazolidin-2-one (CID 166565022) is (5S)-5-methyl-1-[[6-(2,4,6-trifluorophenoxy)-3-pyridinyl]methyl]imidazolidin-2-one.
What is the SMILES notation for (5S)-5-methyl-1-[[6-(2,4,6-trifluorophenoxy)-3-pyridinyl]methyl]imidazolidin-2-one?
The canonical SMILES for (5S)-5-methyl-1-[[6-(2,4,6-trifluorophenoxy)-3-pyridinyl]methyl]imidazolidin-2-one is C[C@H]1CNC(=O)N1Cc1ccc(Oc2c(F)cc(F)cc2F)nc1.
What is the InChIKey of (5S)-5-methyl-1-[[6-(2,4,6-trifluorophenoxy)-3-pyridinyl]methyl]imidazolidin-2-one?
The InChIKey is CSVXBCBEGOLIBI-VIFPVBQESA-N. The full InChI is InChI=1S/C16H14F3N3O2/c1-9-6-21-16(23)22(9)8-10-2-3-14(20-7-10)24-15-12(18)4-11(17)5-13(15)19/h2-5,7,9H,6,8H2,1H3,(H,21,23)/t9-/m0/s1.
What are the key properties of (5S)-5-methyl-1-[[6-(2,4,6-trifluorophenoxy)-3-pyridinyl]methyl]imidazolidin-2-one?
(5S)-5-methyl-1-[[6-(2,4,6-trifluorophenoxy)-3-pyridinyl]methyl]imidazolidin-2-one has a molecular weight of 337.30 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-1-[[6-(2,4,6-trifluorophenoxy)-3-pyridinyl]methyl]imidazolidin-2-one is sourced from PubChem (CID 166565022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).