5,5-dimethyl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione

C11H10F3N3O2 — CID 67156126

IUPAC5,5-dimethyl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(c2ccc(C(F)(F)F)nc2)C1=O
InChIInChI=1S/C11H10F3N3O2/c1-10(2)8(18)17(9(19)16-10)6-3-4-7(15-5-6)11(12,13)14/h3-5H,1-2H3,(H,16,19)
InChIKeyQWSFBCVNYCHVMH-UHFFFAOYSA-N
MW273.21 g/mol
LogP1.94
Rot. Bonds1

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

5,5-dimethyl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione (PubChem CID 67156126) has the molecular formula C11H10F3N3O2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 5,5-dimethyl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione
PubChem CID67156126
Molecular FormulaC11H10F3N3O2
Molecular Weight273.21 g/mol
Exact Mass273.07
IUPAC Name5,5-dimethyl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(c2ccc(C(F)(F)F)nc2)C1=O
InChIInChI=1S/C11H10F3N3O2/c1-10(2)8(18)17(9(19)16-10)6-3-4-7(15-5-6)11(12,13)14/h3-5H,1-2H3,(H,16,19)
InChIKeyQWSFBCVNYCHVMH-UHFFFAOYSA-N
XLogP1.94
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 51.94
H-Bond Donors ≤ 51
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 5,5-dimethyl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione (CID 67156126) is 5,5-dimethyl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione is CC1(C)NC(=O)N(c2ccc(C(F)(F)F)nc2)C1=O.
What is the InChIKey of 5,5-dimethyl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione?
The InChIKey is QWSFBCVNYCHVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2/c1-10(2)8(18)17(9(19)16-10)6-3-4-7(15-5-6)11(12,13)14/h3-5H,1-2H3,(H,16,19).
What are the key properties of 5,5-dimethyl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione has a molecular weight of 273.21 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione is sourced from PubChem (CID 67156126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).