1-[2-[2-amino-4-(trifluoromethyl)phenoxy]ethyl]imidazolidin-2-one

C12H14F3N3O2 — CID 82008405

IUPAC1-[2-[2-amino-4-(trifluoromethyl)phenoxy]ethyl]imidazolidin-2-one
SMILESNc1cc(C(F)(F)F)ccc1OCCN1CCNC1=O
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)8-1-2-10(9(16)7-8)20-6-5-18-4-3-17-11(18)19/h1-2,7H,3-6,16H2,(H,17,19)
InChIKeyNODBNJDQKZZEBK-UHFFFAOYSA-N
MW289.26 g/mol
LogP1.69
Rot. Bonds4

About 1-[2-[2-amino-4-(trifluoromethyl)phenoxy]ethyl]imidazolidin-2-one

1-[2-[2-amino-4-(trifluoromethyl)phenoxy]ethyl]imidazolidin-2-one (PubChem CID 82008405) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is 1-[2-[2-amino-4-(trifluoromethyl)phenoxy]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-amino-4-(trifluoromethyl)phenoxy]ethyl]imidazolidin-2-one
PubChem CID82008405
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC Name1-[2-[2-amino-4-(trifluoromethyl)phenoxy]ethyl]imidazolidin-2-one
SMILESNc1cc(C(F)(F)F)ccc1OCCN1CCNC1=O
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)8-1-2-10(9(16)7-8)20-6-5-18-4-3-17-11(18)19/h1-2,7H,3-6,16H2,(H,17,19)
InChIKeyNODBNJDQKZZEBK-UHFFFAOYSA-N
XLogP1.69
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-amino-2-fluoro-5-methylphenoxy)ethyl]imidazolidin-2-one
CID 114415672
2-(2-pyrazol-1-ylethoxy)-5-(trifluoromethyl)aniline
CID 82008495
5-fluoro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonamide
CID 62104427
2-[2-(2-methylpyrazol-3-yl)ethoxy]-5-(trifluoromethyl)aniline
CID 102999385
1-[2-(2-fluoro-5-methylphenoxy)ethyl]imidazolidin-2-one
CID 64854131
3-amino-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid
CID 107077632
ethyl 5-amino-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoate
CID 106955971
5-bromo-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonamide
CID 62103329
1-[2-[2-(hydroxymethyl)-4-methylphenoxy]ethyl]imidazolidin-2-one
CID 63325459
1-[2-[2-fluoro-5-(trifluoromethyl)anilino]ethyl]imidazolidin-2-one
CID 63037530
1-[2-[4-bromo-2-(hydroxymethyl)phenoxy]ethyl]imidazolidin-2-one
CID 28981461
2-[[(2S)-1-methylazetidin-2-yl]methoxy]-5-(trifluoromethyl)aniline
CID 150636929

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-amino-4-(trifluoromethyl)phenoxy]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[2-amino-4-(trifluoromethyl)phenoxy]ethyl]imidazolidin-2-one (CID 82008405) is 1-[2-[2-amino-4-(trifluoromethyl)phenoxy]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[2-amino-4-(trifluoromethyl)phenoxy]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[2-amino-4-(trifluoromethyl)phenoxy]ethyl]imidazolidin-2-one is Nc1cc(C(F)(F)F)ccc1OCCN1CCNC1=O.
What is the InChIKey of 1-[2-[2-amino-4-(trifluoromethyl)phenoxy]ethyl]imidazolidin-2-one?
The InChIKey is NODBNJDQKZZEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c13-12(14,15)8-1-2-10(9(16)7-8)20-6-5-18-4-3-17-11(18)19/h1-2,7H,3-6,16H2,(H,17,19).
What are the key properties of 1-[2-[2-amino-4-(trifluoromethyl)phenoxy]ethyl]imidazolidin-2-one?
1-[2-[2-amino-4-(trifluoromethyl)phenoxy]ethyl]imidazolidin-2-one has a molecular weight of 289.26 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-amino-4-(trifluoromethyl)phenoxy]ethyl]imidazolidin-2-one is sourced from PubChem (CID 82008405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).