1-ethyl-4-imino-5-[2-(trifluoromethoxy)phenyl]imidazolidin-2-one

C12H12F3N3O2 — CID 138390155

IUPAC1-ethyl-4-imino-5-[2-(trifluoromethoxy)phenyl]imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC)C1c1ccccc1OC(F)(F)F
InChIInChI=1S/C12H12F3N3O2/c1-2-18-9(10(16)17-11(18)19)7-5-3-4-6-8(7)20-12(13,14)15/h3-6,9H,2H2,1H3,(H2,16,17,19)
InChIKeyIQALETBAJPKBNS-UHFFFAOYSA-N
MW287.24 g/mol
LogP2.65
Rot. Bonds3

About 1-ethyl-4-imino-5-[2-(trifluoromethoxy)phenyl]imidazolidin-2-one

1-ethyl-4-imino-5-[2-(trifluoromethoxy)phenyl]imidazolidin-2-one (PubChem CID 138390155) has the molecular formula C12H12F3N3O2 and a molecular weight of 287.24 g/mol. Its IUPAC name is 1-ethyl-4-imino-5-[2-(trifluoromethoxy)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-ethyl-4-imino-5-[2-(trifluoromethoxy)phenyl]imidazolidin-2-one
PubChem CID138390155
Molecular FormulaC12H12F3N3O2
Molecular Weight287.24 g/mol
Exact Mass287.09
IUPAC Name1-ethyl-4-imino-5-[2-(trifluoromethoxy)phenyl]imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC)C1c1ccccc1OC(F)(F)F
InChIInChI=1S/C12H12F3N3O2/c1-2-18-9(10(16)17-11(18)19)7-5-3-4-6-8(7)20-12(13,14)15/h3-6,9H,2H2,1H3,(H2,16,17,19)
InChIKeyIQALETBAJPKBNS-UHFFFAOYSA-N
XLogP2.65
TPSA65.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-imino-5-[2-(trifluoromethoxy)phenyl]imidazolidin-2-one?
The IUPAC name of 1-ethyl-4-imino-5-[2-(trifluoromethoxy)phenyl]imidazolidin-2-one (CID 138390155) is 1-ethyl-4-imino-5-[2-(trifluoromethoxy)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-ethyl-4-imino-5-[2-(trifluoromethoxy)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-ethyl-4-imino-5-[2-(trifluoromethoxy)phenyl]imidazolidin-2-one is [H]/N=C1\NC(=O)N(CC)C1c1ccccc1OC(F)(F)F.
What is the InChIKey of 1-ethyl-4-imino-5-[2-(trifluoromethoxy)phenyl]imidazolidin-2-one?
The InChIKey is IQALETBAJPKBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2/c1-2-18-9(10(16)17-11(18)19)7-5-3-4-6-8(7)20-12(13,14)15/h3-6,9H,2H2,1H3,(H2,16,17,19).
What are the key properties of 1-ethyl-4-imino-5-[2-(trifluoromethoxy)phenyl]imidazolidin-2-one?
1-ethyl-4-imino-5-[2-(trifluoromethoxy)phenyl]imidazolidin-2-one has a molecular weight of 287.24 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-imino-5-[2-(trifluoromethoxy)phenyl]imidazolidin-2-one is sourced from PubChem (CID 138390155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).