1-[2-[2-fluoro-5-(trifluoromethyl)anilino]ethyl]imidazolidin-2-one

C12H13F4N3O — CID 63037530

IUPAC1-[2-[2-fluoro-5-(trifluoromethyl)anilino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C12H13F4N3O/c13-9-2-1-8(12(14,15)16)7-10(9)17-3-5-19-6-4-18-11(19)20/h1-2,7,17H,3-6H2,(H,18,20)
InChIKeyQNAMOEIUUHVQAK-UHFFFAOYSA-N
MW291.25 g/mol
LogP2.28
Rot. Bonds4

About 1-[2-[2-fluoro-5-(trifluoromethyl)anilino]ethyl]imidazolidin-2-one

1-[2-[2-fluoro-5-(trifluoromethyl)anilino]ethyl]imidazolidin-2-one (PubChem CID 63037530) has the molecular formula C12H13F4N3O and a molecular weight of 291.25 g/mol. Its IUPAC name is 1-[2-[2-fluoro-5-(trifluoromethyl)anilino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-fluoro-5-(trifluoromethyl)anilino]ethyl]imidazolidin-2-one
PubChem CID63037530
Molecular FormulaC12H13F4N3O
Molecular Weight291.25 g/mol
Exact Mass291.10
IUPAC Name1-[2-[2-fluoro-5-(trifluoromethyl)anilino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C12H13F4N3O/c13-9-2-1-8(12(14,15)16)7-10(9)17-3-5-19-6-4-18-11(19)20/h1-2,7,17H,3-6H2,(H,18,20)
InChIKeyQNAMOEIUUHVQAK-UHFFFAOYSA-N
XLogP2.28
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-fluoro-5-(trifluoromethyl)anilino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[2-fluoro-5-(trifluoromethyl)anilino]ethyl]imidazolidin-2-one (CID 63037530) is 1-[2-[2-fluoro-5-(trifluoromethyl)anilino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[2-fluoro-5-(trifluoromethyl)anilino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[2-fluoro-5-(trifluoromethyl)anilino]ethyl]imidazolidin-2-one is O=C1NCCN1CCNc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 1-[2-[2-fluoro-5-(trifluoromethyl)anilino]ethyl]imidazolidin-2-one?
The InChIKey is QNAMOEIUUHVQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4N3O/c13-9-2-1-8(12(14,15)16)7-10(9)17-3-5-19-6-4-18-11(19)20/h1-2,7,17H,3-6H2,(H,18,20).
What are the key properties of 1-[2-[2-fluoro-5-(trifluoromethyl)anilino]ethyl]imidazolidin-2-one?
1-[2-[2-fluoro-5-(trifluoromethyl)anilino]ethyl]imidazolidin-2-one has a molecular weight of 291.25 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-fluoro-5-(trifluoromethyl)anilino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 63037530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).