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

C13H14F3N3O3 — CID 38652523

IUPAC5,5-dimethyl-3-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCn2cc(C(F)(F)F)ccc2=O)C1=O
InChIInChI=1S/C13H14F3N3O3/c1-12(2)10(21)19(11(22)17-12)6-5-18-7-8(13(14,15)16)3-4-9(18)20/h3-4,7H,5-6H2,1-2H3,(H,17,22)
InChIKeyNFYGMLVLMXJPMT-UHFFFAOYSA-N
MW317.27 g/mol
LogP1.20
Rot. Bonds3

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

5,5-dimethyl-3-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethyl]imidazolidine-2,4-dione (PubChem CID 38652523) has the molecular formula C13H14F3N3O3 and a molecular weight of 317.27 g/mol. Its IUPAC name is 5,5-dimethyl-3-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethyl]imidazolidine-2,4-dione
PubChem CID38652523
Molecular FormulaC13H14F3N3O3
Molecular Weight317.27 g/mol
Exact Mass317.10
IUPAC Name5,5-dimethyl-3-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCn2cc(C(F)(F)F)ccc2=O)C1=O
InChIInChI=1S/C13H14F3N3O3/c1-12(2)10(21)19(11(22)17-12)6-5-18-7-8(13(14,15)16)3-4-9(18)20/h3-4,7H,5-6H2,1-2H3,(H,17,22)
InChIKeyNFYGMLVLMXJPMT-UHFFFAOYSA-N
XLogP1.20
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethyl]imidazolidine-2,4-dione (CID 38652523) is 5,5-dimethyl-3-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethyl]imidazolidine-2,4-dione is CC1(C)NC(=O)N(CCn2cc(C(F)(F)F)ccc2=O)C1=O.
What is the InChIKey of 5,5-dimethyl-3-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethyl]imidazolidine-2,4-dione?
The InChIKey is NFYGMLVLMXJPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O3/c1-12(2)10(21)19(11(22)17-12)6-5-18-7-8(13(14,15)16)3-4-9(18)20/h3-4,7H,5-6H2,1-2H3,(H,17,22).
What are the key properties of 5,5-dimethyl-3-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethyl]imidazolidine-2,4-dione has a molecular weight of 317.27 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 38652523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).