1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyridin-2-one

C11H10F3N3O — CID 56793668

IUPAC1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyridin-2-one
SMILESO=c1ccccn1Cc1nccn1CC(F)(F)F
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)8-17-6-4-15-9(17)7-16-5-2-1-3-10(16)18/h1-6H,7-8H2
InChIKeyUUXOWMZCWUXPMX-UHFFFAOYSA-N
MW257.21 g/mol
LogP1.66
Rot. Bonds3

About 1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyridin-2-one

1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyridin-2-one (PubChem CID 56793668) has the molecular formula C11H10F3N3O and a molecular weight of 257.21 g/mol. Its IUPAC name is 1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyridin-2-one
PubChem CID56793668
Molecular FormulaC11H10F3N3O
Molecular Weight257.21 g/mol
Exact Mass257.08
IUPAC Name1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyridin-2-one
SMILESO=c1ccccn1Cc1nccn1CC(F)(F)F
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)8-17-6-4-15-9(17)7-16-5-2-1-3-10(16)18/h1-6H,7-8H2
InChIKeyUUXOWMZCWUXPMX-UHFFFAOYSA-N
XLogP1.66
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyridin-2-one?
The IUPAC name of 1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyridin-2-one (CID 56793668) is 1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyridin-2-one.
What is the SMILES notation for 1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyridin-2-one?
The canonical SMILES for 1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyridin-2-one is O=c1ccccn1Cc1nccn1CC(F)(F)F.
What is the InChIKey of 1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyridin-2-one?
The InChIKey is UUXOWMZCWUXPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c12-11(13,14)8-17-6-4-15-9(17)7-16-5-2-1-3-10(16)18/h1-6H,7-8H2.
What are the key properties of 1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyridin-2-one?
1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyridin-2-one has a molecular weight of 257.21 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyridin-2-one is sourced from PubChem (CID 56793668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).