3-(2,4,6-trifluorophenyl)-1H-imidazol-2-one

C9H5F3N2O — CID 103125750

IUPAC3-(2,4,6-trifluorophenyl)-1H-imidazol-2-one
SMILESO=c1[nH]ccn1-c1c(F)cc(F)cc1F
InChIInChI=1S/C9H5F3N2O/c10-5-3-6(11)8(7(12)4-5)14-2-1-13-9(14)15/h1-4H,(H,13,15)
InChIKeyPVTDJRXRYCOHGN-UHFFFAOYSA-N
MW214.15 g/mol
LogP1.58
Rot. Bonds1

About 3-(2,4,6-trifluorophenyl)-1H-imidazol-2-one

3-(2,4,6-trifluorophenyl)-1H-imidazol-2-one (PubChem CID 103125750) has the molecular formula C9H5F3N2O and a molecular weight of 214.15 g/mol. Its IUPAC name is 3-(2,4,6-trifluorophenyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(2,4,6-trifluorophenyl)-1H-imidazol-2-one
PubChem CID103125750
Molecular FormulaC9H5F3N2O
Molecular Weight214.15 g/mol
Exact Mass214.04
IUPAC Name3-(2,4,6-trifluorophenyl)-1H-imidazol-2-one
SMILESO=c1[nH]ccn1-c1c(F)cc(F)cc1F
InChIInChI=1S/C9H5F3N2O/c10-5-3-6(11)8(7(12)4-5)14-2-1-13-9(14)15/h1-4H,(H,13,15)
InChIKeyPVTDJRXRYCOHGN-UHFFFAOYSA-N
XLogP1.58
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4,6-trifluorophenyl)-1H-imidazol-2-one?
The IUPAC name of 3-(2,4,6-trifluorophenyl)-1H-imidazol-2-one (CID 103125750) is 3-(2,4,6-trifluorophenyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(2,4,6-trifluorophenyl)-1H-imidazol-2-one?
The canonical SMILES for 3-(2,4,6-trifluorophenyl)-1H-imidazol-2-one is O=c1[nH]ccn1-c1c(F)cc(F)cc1F.
What is the InChIKey of 3-(2,4,6-trifluorophenyl)-1H-imidazol-2-one?
The InChIKey is PVTDJRXRYCOHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O/c10-5-3-6(11)8(7(12)4-5)14-2-1-13-9(14)15/h1-4H,(H,13,15).
What are the key properties of 3-(2,4,6-trifluorophenyl)-1H-imidazol-2-one?
3-(2,4,6-trifluorophenyl)-1H-imidazol-2-one has a molecular weight of 214.15 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4,6-trifluorophenyl)-1H-imidazol-2-one is sourced from PubChem (CID 103125750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).