3-(1-ethylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one

C17H20F3N3O — CID 59767839

IUPAC3-(1-ethylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one
SMILESCCN1CCC(n2cc(-c3cccc(C(F)(F)F)c3)[nH]c2=O)CC1
InChIInChI=1S/C17H20F3N3O/c1-2-22-8-6-14(7-9-22)23-11-15(21-16(23)24)12-4-3-5-13(10-12)17(18,19)20/h3-5,10-11,14H,2,6-9H2,1H3,(H,21,24)
InChIKeyDQUNHMYXPQTXFM-UHFFFAOYSA-N
MW339.36 g/mol
LogP3.52
Rot. Bonds3

About 3-(1-ethylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one

3-(1-ethylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one (PubChem CID 59767839) has the molecular formula C17H20F3N3O and a molecular weight of 339.36 g/mol. Its IUPAC name is 3-(1-ethylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(1-ethylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one
PubChem CID59767839
Molecular FormulaC17H20F3N3O
Molecular Weight339.36 g/mol
Exact Mass339.16
IUPAC Name3-(1-ethylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one
SMILESCCN1CCC(n2cc(-c3cccc(C(F)(F)F)c3)[nH]c2=O)CC1
InChIInChI=1S/C17H20F3N3O/c1-2-22-8-6-14(7-9-22)23-11-15(21-16(23)24)12-4-3-5-13(10-12)17(18,19)20/h3-5,10-11,14H,2,6-9H2,1H3,(H,21,24)
InChIKeyDQUNHMYXPQTXFM-UHFFFAOYSA-N
XLogP3.52
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1-ethylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one?
The IUPAC name of 3-(1-ethylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one (CID 59767839) is 3-(1-ethylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-(1-ethylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one?
The canonical SMILES for 3-(1-ethylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one is CCN1CCC(n2cc(-c3cccc(C(F)(F)F)c3)[nH]c2=O)CC1.
What is the InChIKey of 3-(1-ethylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one?
The InChIKey is DQUNHMYXPQTXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O/c1-2-22-8-6-14(7-9-22)23-11-15(21-16(23)24)12-4-3-5-13(10-12)17(18,19)20/h3-5,10-11,14H,2,6-9H2,1H3,(H,21,24).
What are the key properties of 3-(1-ethylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one?
3-(1-ethylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one has a molecular weight of 339.36 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 59767839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).