1-ethyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-2-one

C13H13F3N2O2 — CID 116624187

IUPAC1-ethyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-2-one
SMILESCCn1ccn(Cc2ccc(OC(F)(F)F)cc2)c1=O
InChIInChI=1S/C13H13F3N2O2/c1-2-17-7-8-18(12(17)19)9-10-3-5-11(6-4-10)20-13(14,15)16/h3-8H,2,9H2,1H3
InChIKeyWLWQUXPCWAZARQ-UHFFFAOYSA-N
MW286.25 g/mol
LogP2.62
Rot. Bonds4

About 1-ethyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-2-one

1-ethyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-2-one (PubChem CID 116624187) has the molecular formula C13H13F3N2O2 and a molecular weight of 286.25 g/mol. Its IUPAC name is 1-ethyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-2-one
PubChem CID116624187
Molecular FormulaC13H13F3N2O2
Molecular Weight286.25 g/mol
Exact Mass286.09
IUPAC Name1-ethyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-2-one
SMILESCCn1ccn(Cc2ccc(OC(F)(F)F)cc2)c1=O
InChIInChI=1S/C13H13F3N2O2/c1-2-17-7-8-18(12(17)19)9-10-3-5-11(6-4-10)20-13(14,15)16/h3-8H,2,9H2,1H3
InChIKeyWLWQUXPCWAZARQ-UHFFFAOYSA-N
XLogP2.62
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-3-[[4-(trifluoromethoxy)phenyl]methyl]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

Related Compounds

4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one
CID 115614090
2-methylsulfonyl-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazole
CID 175147349
5-chloro-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-dione
CID 66424380
4-ethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 118331263
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
4-phenylmethoxy-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one
CID 22050640
N-methyl-1-[1-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-2-yl]methanamine
CID 62221603
3-amino-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-4-one
CID 82992770
ethyl 4-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]quinoline-3-carboxylate
CID 118585777
1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propan-1-one
CID 86928582
(3Z)-3-(1-hydroxyethylidene)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
CID 143188086
3-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one
CID 63608349

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-2-one?
The IUPAC name of 1-ethyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-2-one (CID 116624187) is 1-ethyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-2-one.
What is the SMILES notation for 1-ethyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-2-one?
The canonical SMILES for 1-ethyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-2-one is CCn1ccn(Cc2ccc(OC(F)(F)F)cc2)c1=O.
What is the InChIKey of 1-ethyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-2-one?
The InChIKey is WLWQUXPCWAZARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2/c1-2-17-7-8-18(12(17)19)9-10-3-5-11(6-4-10)20-13(14,15)16/h3-8H,2,9H2,1H3.
What are the key properties of 1-ethyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-2-one?
1-ethyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-2-one has a molecular weight of 286.25 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-2-one is sourced from PubChem (CID 116624187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).