1-(2-aminophenyl)-3-(2,2,2-trifluoroethoxymethyl)imidazolidin-2-one

C12H14F3N3O2 — CID 106704854

IUPAC1-(2-aminophenyl)-3-(2,2,2-trifluoroethoxymethyl)imidazolidin-2-one
SMILESNc1ccccc1N1CCN(COCC(F)(F)F)C1=O
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)7-20-8-17-5-6-18(11(17)19)10-4-2-1-3-9(10)16/h1-4H,5-8,16H2
InChIKeyMVGDBFVKYQFJCQ-UHFFFAOYSA-N
MW289.26 g/mol
LogP2.05
Rot. Bonds4

About 1-(2-aminophenyl)-3-(2,2,2-trifluoroethoxymethyl)imidazolidin-2-one

1-(2-aminophenyl)-3-(2,2,2-trifluoroethoxymethyl)imidazolidin-2-one (PubChem CID 106704854) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is 1-(2-aminophenyl)-3-(2,2,2-trifluoroethoxymethyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(2-aminophenyl)-3-(2,2,2-trifluoroethoxymethyl)imidazolidin-2-one
PubChem CID106704854
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC Name1-(2-aminophenyl)-3-(2,2,2-trifluoroethoxymethyl)imidazolidin-2-one
SMILESNc1ccccc1N1CCN(COCC(F)(F)F)C1=O
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)7-20-8-17-5-6-18(11(17)19)10-4-2-1-3-9(10)16/h1-4H,5-8,16H2
InChIKeyMVGDBFVKYQFJCQ-UHFFFAOYSA-N
XLogP2.05
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminophenyl)-3-(4,4,4-trifluorobutyl)imidazolidin-2-one
CID 115513903
1-(2-aminophenyl)-3-propylimidazolidin-2-one
CID 115512827
1-(2-aminophenyl)-3-[2-(2-hydroxyethoxy)ethyl]imidazolidin-2-one
CID 115512904
1-(2-aminophenyl)-3-(2-methylbutyl)imidazolidin-2-one
CID 113326184
1-(2-aminophenyl)-3-[(2-methylphenyl)methyl]imidazolidin-2-one
CID 115512876
1-(2-aminophenyl)-3-(oxan-4-ylmethyl)imidazolidin-2-one
CID 115512912
1-(2-aminophenyl)-3-(2-propylsulfonylethyl)imidazolidin-2-one
CID 106724738
1-(2-aminophenyl)-3-[(3-methylphenyl)methyl]imidazolidin-2-one
CID 115512911
1-(4-amino-2,3-dihydroindol-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103205691
1-[3-(2,2,2-trifluoroethoxy)propyl]-3,4-dihydro-2H-quinolin-5-amine
CID 61491630
1-[2-(2,2,2-trifluoroethoxy)ethyl]-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336995
2-[3-(2-bromophenyl)-2-oxoimidazolidin-1-yl]acetaldehyde
CID 84812554

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-3-(2,2,2-trifluoroethoxymethyl)imidazolidin-2-one?
The IUPAC name of 1-(2-aminophenyl)-3-(2,2,2-trifluoroethoxymethyl)imidazolidin-2-one (CID 106704854) is 1-(2-aminophenyl)-3-(2,2,2-trifluoroethoxymethyl)imidazolidin-2-one.
What is the SMILES notation for 1-(2-aminophenyl)-3-(2,2,2-trifluoroethoxymethyl)imidazolidin-2-one?
The canonical SMILES for 1-(2-aminophenyl)-3-(2,2,2-trifluoroethoxymethyl)imidazolidin-2-one is Nc1ccccc1N1CCN(COCC(F)(F)F)C1=O.
What is the InChIKey of 1-(2-aminophenyl)-3-(2,2,2-trifluoroethoxymethyl)imidazolidin-2-one?
The InChIKey is MVGDBFVKYQFJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c13-12(14,15)7-20-8-17-5-6-18(11(17)19)10-4-2-1-3-9(10)16/h1-4H,5-8,16H2.
What are the key properties of 1-(2-aminophenyl)-3-(2,2,2-trifluoroethoxymethyl)imidazolidin-2-one?
1-(2-aminophenyl)-3-(2,2,2-trifluoroethoxymethyl)imidazolidin-2-one has a molecular weight of 289.26 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-3-(2,2,2-trifluoroethoxymethyl)imidazolidin-2-one is sourced from PubChem (CID 106704854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).