1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione

C9H6F3N3O2 — CID 175783048

IUPAC1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione
SMILESO=C1CN(c2cncc(C(F)(F)F)c2)C(=O)N1
InChIInChI=1S/C9H6F3N3O2/c10-9(11,12)5-1-6(3-13-2-5)15-4-7(16)14-8(15)17/h1-3H,4H2,(H,14,16,17)
InChIKeyQFOKETDXPPJYLV-UHFFFAOYSA-N
MW245.16 g/mol
LogP1.16
Rot. Bonds1

About 1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione

1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione (PubChem CID 175783048) has the molecular formula C9H6F3N3O2 and a molecular weight of 245.16 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione
PubChem CID175783048
Molecular FormulaC9H6F3N3O2
Molecular Weight245.16 g/mol
Exact Mass245.04
IUPAC Name1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione
SMILESO=C1CN(c2cncc(C(F)(F)F)c2)C(=O)N1
InChIInChI=1S/C9H6F3N3O2/c10-9(11,12)5-1-6(3-13-2-5)15-4-7(16)14-8(15)17/h1-3H,4H2,(H,14,16,17)
InChIKeyQFOKETDXPPJYLV-UHFFFAOYSA-N
XLogP1.16
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.16
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethenyl-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-2-one
CID 168686316
5-oxo-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-sulfonamide
CID 168719239
1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;dihydrochloride
CID 154825593
methyl 5-oxo-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxylate
CID 168695126
3-[4-[(6-amino-3-pyridinyl)oxy]phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione
CID 165167078
3-[4-[(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione
CID 165166883
1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione
CID 70692250
1-tert-butyl-4-[5-(trifluoromethyl)-3-pyridinyl]piperazine
CID 123756396
3-[4-(1H-pyrazolo[4,5-b]pyridin-6-yloxy)phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione
CID 165166928
3-[3-bromo-5-fluoro-4-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione
CID 165167042
4-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 139668299
4-[5-(trifluoromethyl)-3-pyridinyl]-1,4-diazabicyclo[3.2.1]octane;dihydrochloride
CID 69320217

Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione (CID 175783048) is 1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione is O=C1CN(c2cncc(C(F)(F)F)c2)C(=O)N1.
What is the InChIKey of 1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione?
The InChIKey is QFOKETDXPPJYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O2/c10-9(11,12)5-1-6(3-13-2-5)15-4-7(16)14-8(15)17/h1-3H,4H2,(H,14,16,17).
What are the key properties of 1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione?
1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione has a molecular weight of 245.16 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione is sourced from PubChem (CID 175783048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).