1-[2-(2,3,5-trifluoroanilino)ethyl]imidazolidin-2-one

C11H12F3N3O — CID 62809560

IUPAC1-[2-(2,3,5-trifluoroanilino)ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNc1cc(F)cc(F)c1F
InChIInChI=1S/C11H12F3N3O/c12-7-5-8(13)10(14)9(6-7)15-1-3-17-4-2-16-11(17)18/h5-6,15H,1-4H2,(H,16,18)
InChIKeyQGZWJUGTYRSSHF-UHFFFAOYSA-N
MW259.23 g/mol
LogP1.54
Rot. Bonds4

About 1-[2-(2,3,5-trifluoroanilino)ethyl]imidazolidin-2-one

1-[2-(2,3,5-trifluoroanilino)ethyl]imidazolidin-2-one (PubChem CID 62809560) has the molecular formula C11H12F3N3O and a molecular weight of 259.23 g/mol. Its IUPAC name is 1-[2-(2,3,5-trifluoroanilino)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(2,3,5-trifluoroanilino)ethyl]imidazolidin-2-one
PubChem CID62809560
Molecular FormulaC11H12F3N3O
Molecular Weight259.23 g/mol
Exact Mass259.09
IUPAC Name1-[2-(2,3,5-trifluoroanilino)ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNc1cc(F)cc(F)c1F
InChIInChI=1S/C11H12F3N3O/c12-7-5-8(13)10(14)9(6-7)15-1-3-17-4-2-16-11(17)18/h5-6,15H,1-4H2,(H,16,18)
InChIKeyQGZWJUGTYRSSHF-UHFFFAOYSA-N
XLogP1.54
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3,5-trifluoroanilino)ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(2,3,5-trifluoroanilino)ethyl]imidazolidin-2-one (CID 62809560) is 1-[2-(2,3,5-trifluoroanilino)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(2,3,5-trifluoroanilino)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(2,3,5-trifluoroanilino)ethyl]imidazolidin-2-one is O=C1NCCN1CCNc1cc(F)cc(F)c1F.
What is the InChIKey of 1-[2-(2,3,5-trifluoroanilino)ethyl]imidazolidin-2-one?
The InChIKey is QGZWJUGTYRSSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O/c12-7-5-8(13)10(14)9(6-7)15-1-3-17-4-2-16-11(17)18/h5-6,15H,1-4H2,(H,16,18).
What are the key properties of 1-[2-(2,3,5-trifluoroanilino)ethyl]imidazolidin-2-one?
1-[2-(2,3,5-trifluoroanilino)ethyl]imidazolidin-2-one has a molecular weight of 259.23 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3,5-trifluoroanilino)ethyl]imidazolidin-2-one is sourced from PubChem (CID 62809560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).