3-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-ethyl-5-methylimidazolidine-2,4-dione

C14H16F3N3O2 — CID 18731607

IUPAC3-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCN1C(=O)N(c2nc(C)c(C(F)(F)F)cc2C)C(=O)C1C
InChIInChI=1S/C14H16F3N3O2/c1-5-19-9(4)12(21)20(13(19)22)11-7(2)6-10(8(3)18-11)14(15,16)17/h6,9H,5H2,1-4H3
InChIKeyZLIMFDOGBZPRHE-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.89
Rot. Bonds2

About 3-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-ethyl-5-methylimidazolidine-2,4-dione

3-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-ethyl-5-methylimidazolidine-2,4-dione (PubChem CID 18731607) has the molecular formula C14H16F3N3O2 and a molecular weight of 315.30 g/mol. Its IUPAC name is 3-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-ethyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-ethyl-5-methylimidazolidine-2,4-dione
PubChem CID18731607
Molecular FormulaC14H16F3N3O2
Molecular Weight315.30 g/mol
Exact Mass315.12
IUPAC Name3-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCN1C(=O)N(c2nc(C)c(C(F)(F)F)cc2C)C(=O)C1C
InChIInChI=1S/C14H16F3N3O2/c1-5-19-9(4)12(21)20(13(19)22)11-7(2)6-10(8(3)18-11)14(15,16)17/h6,9H,5H2,1-4H3
InChIKeyZLIMFDOGBZPRHE-UHFFFAOYSA-N
XLogP2.89
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-ethyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-ethyl-5-methylimidazolidine-2,4-dione (CID 18731607) is 3-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-ethyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-ethyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-ethyl-5-methylimidazolidine-2,4-dione is CCN1C(=O)N(c2nc(C)c(C(F)(F)F)cc2C)C(=O)C1C.
What is the InChIKey of 3-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-ethyl-5-methylimidazolidine-2,4-dione?
The InChIKey is ZLIMFDOGBZPRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2/c1-5-19-9(4)12(21)20(13(19)22)11-7(2)6-10(8(3)18-11)14(15,16)17/h6,9H,5H2,1-4H3.
What are the key properties of 3-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-ethyl-5-methylimidazolidine-2,4-dione?
3-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-ethyl-5-methylimidazolidine-2,4-dione has a molecular weight of 315.30 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-ethyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 18731607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).