1-(2-aminophenyl)-3-(4,4,4-trifluorobutyl)imidazolidin-2-one

C13H16F3N3O — CID 115513903

IUPAC1-(2-aminophenyl)-3-(4,4,4-trifluorobutyl)imidazolidin-2-one
SMILESNc1ccccc1N1CCN(CCCC(F)(F)F)C1=O
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)6-3-7-18-8-9-19(12(18)20)11-5-2-1-4-10(11)17/h1-2,4-5H,3,6-9,17H2
InChIKeyGDXFQGYCBFCFIU-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.85
Rot. Bonds4

About 1-(2-aminophenyl)-3-(4,4,4-trifluorobutyl)imidazolidin-2-one

1-(2-aminophenyl)-3-(4,4,4-trifluorobutyl)imidazolidin-2-one (PubChem CID 115513903) has the molecular formula C13H16F3N3O and a molecular weight of 287.28 g/mol. Its IUPAC name is 1-(2-aminophenyl)-3-(4,4,4-trifluorobutyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(2-aminophenyl)-3-(4,4,4-trifluorobutyl)imidazolidin-2-one
PubChem CID115513903
Molecular FormulaC13H16F3N3O
Molecular Weight287.28 g/mol
Exact Mass287.12
IUPAC Name1-(2-aminophenyl)-3-(4,4,4-trifluorobutyl)imidazolidin-2-one
SMILESNc1ccccc1N1CCN(CCCC(F)(F)F)C1=O
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)6-3-7-18-8-9-19(12(18)20)11-5-2-1-4-10(11)17/h1-2,4-5H,3,6-9,17H2
InChIKeyGDXFQGYCBFCFIU-UHFFFAOYSA-N
XLogP2.85
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-3-(4,4,4-trifluorobutyl)imidazolidin-2-one?
The IUPAC name of 1-(2-aminophenyl)-3-(4,4,4-trifluorobutyl)imidazolidin-2-one (CID 115513903) is 1-(2-aminophenyl)-3-(4,4,4-trifluorobutyl)imidazolidin-2-one.
What is the SMILES notation for 1-(2-aminophenyl)-3-(4,4,4-trifluorobutyl)imidazolidin-2-one?
The canonical SMILES for 1-(2-aminophenyl)-3-(4,4,4-trifluorobutyl)imidazolidin-2-one is Nc1ccccc1N1CCN(CCCC(F)(F)F)C1=O.
What is the InChIKey of 1-(2-aminophenyl)-3-(4,4,4-trifluorobutyl)imidazolidin-2-one?
The InChIKey is GDXFQGYCBFCFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c14-13(15,16)6-3-7-18-8-9-19(12(18)20)11-5-2-1-4-10(11)17/h1-2,4-5H,3,6-9,17H2.
What are the key properties of 1-(2-aminophenyl)-3-(4,4,4-trifluorobutyl)imidazolidin-2-one?
1-(2-aminophenyl)-3-(4,4,4-trifluorobutyl)imidazolidin-2-one has a molecular weight of 287.28 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-3-(4,4,4-trifluorobutyl)imidazolidin-2-one is sourced from PubChem (CID 115513903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).