1-[2-[4-(trifluoromethoxy)anilino]ethyl]imidazolidin-2-one

C12H14F3N3O2 — CID 28576905

IUPAC1-[2-[4-(trifluoromethoxy)anilino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)20-10-3-1-9(2-4-10)16-5-7-18-8-6-17-11(18)19/h1-4,16H,5-8H2,(H,17,19)
InChIKeySJEMXTRNEMWLDX-UHFFFAOYSA-N
MW289.26 g/mol
LogP2.02
Rot. Bonds5

About 1-[2-[4-(trifluoromethoxy)anilino]ethyl]imidazolidin-2-one

1-[2-[4-(trifluoromethoxy)anilino]ethyl]imidazolidin-2-one (PubChem CID 28576905) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is 1-[2-[4-(trifluoromethoxy)anilino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(trifluoromethoxy)anilino]ethyl]imidazolidin-2-one
PubChem CID28576905
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC Name1-[2-[4-(trifluoromethoxy)anilino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)20-10-3-1-9(2-4-10)16-5-7-18-8-6-17-11(18)19/h1-4,16H,5-8H2,(H,17,19)
InChIKeySJEMXTRNEMWLDX-UHFFFAOYSA-N
XLogP2.02
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(2-anilinoethyl)imidazolidin-2-one
CID 28565231
1-[2-(3-fluoro-4-methoxyanilino)ethyl]imidazolidin-2-one
CID 43380794
1-[2-[[6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]imidazolidin-2-one
CID 67221021
1-[2-(4-methoxy-2-methylanilino)ethyl]imidazolidin-2-one
CID 62873354
1-[2-(2,3,4,5,6-pentafluoroanilino)ethyl]imidazolidin-2-one
CID 115564338
1-[2-(2,5-difluoroanilino)ethyl]imidazolidin-2-one
CID 28574585
N'-tert-butyl-N-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 107444522
1-[2-(2-pyridin-4-ylethylamino)ethyl]imidazolidin-2-one
CID 60904196
N-(2,2-dimethylpropyl)-4-(trifluoromethoxy)aniline
CID 20786173
1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-(4-phenylmethoxyphenyl)urea
CID 2810884
2-[methyl-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8642528
1-[2-(2-bromo-4-chloroanilino)ethyl]imidazolidin-2-one
CID 81271578

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(trifluoromethoxy)anilino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-(trifluoromethoxy)anilino]ethyl]imidazolidin-2-one (CID 28576905) is 1-[2-[4-(trifluoromethoxy)anilino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-(trifluoromethoxy)anilino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-(trifluoromethoxy)anilino]ethyl]imidazolidin-2-one is O=C1NCCN1CCNc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-[2-[4-(trifluoromethoxy)anilino]ethyl]imidazolidin-2-one?
The InChIKey is SJEMXTRNEMWLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c13-12(14,15)20-10-3-1-9(2-4-10)16-5-7-18-8-6-17-11(18)19/h1-4,16H,5-8H2,(H,17,19).
What are the key properties of 1-[2-[4-(trifluoromethoxy)anilino]ethyl]imidazolidin-2-one?
1-[2-[4-(trifluoromethoxy)anilino]ethyl]imidazolidin-2-one has a molecular weight of 289.26 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(trifluoromethoxy)anilino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 28576905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).