1,5-dimethyl-3-[2-methyl-4-(trifluoromethyl)-1H-pyridin-2-yl]imidazolidine-2,4-dione

C12H14F3N3O2 — CID 162606608

IUPAC1,5-dimethyl-3-[2-methyl-4-(trifluoromethyl)-1H-pyridin-2-yl]imidazolidine-2,4-dione
SMILESCC1C(=O)N(C2(C)C=C(C(F)(F)F)C=CN2)C(=O)N1C
InChIInChI=1S/C12H14F3N3O2/c1-7-9(19)18(10(20)17(7)3)11(2)6-8(4-5-16-11)12(13,14)15/h4-7,16H,1-3H3
InChIKeySELHVEFGBZCYSR-UHFFFAOYSA-N
MW289.26 g/mol
LogP1.59
Rot. Bonds1

About 1,5-dimethyl-3-[2-methyl-4-(trifluoromethyl)-1H-pyridin-2-yl]imidazolidine-2,4-dione

1,5-dimethyl-3-[2-methyl-4-(trifluoromethyl)-1H-pyridin-2-yl]imidazolidine-2,4-dione (PubChem CID 162606608) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is 1,5-dimethyl-3-[2-methyl-4-(trifluoromethyl)-1H-pyridin-2-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1,5-dimethyl-3-[2-methyl-4-(trifluoromethyl)-1H-pyridin-2-yl]imidazolidine-2,4-dione
PubChem CID162606608
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC Name1,5-dimethyl-3-[2-methyl-4-(trifluoromethyl)-1H-pyridin-2-yl]imidazolidine-2,4-dione
SMILESCC1C(=O)N(C2(C)C=C(C(F)(F)F)C=CN2)C(=O)N1C
InChIInChI=1S/C12H14F3N3O2/c1-7-9(19)18(10(20)17(7)3)11(2)6-8(4-5-16-11)12(13,14)15/h4-7,16H,1-3H3
InChIKeySELHVEFGBZCYSR-UHFFFAOYSA-N
XLogP1.59
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.59
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 1,5-dimethyl-3-[2-methyl-4-(trifluoromethyl)-1H-pyridin-2-yl]imidazolidine-2,4-dione?
The IUPAC name of 1,5-dimethyl-3-[2-methyl-4-(trifluoromethyl)-1H-pyridin-2-yl]imidazolidine-2,4-dione (CID 162606608) is 1,5-dimethyl-3-[2-methyl-4-(trifluoromethyl)-1H-pyridin-2-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 1,5-dimethyl-3-[2-methyl-4-(trifluoromethyl)-1H-pyridin-2-yl]imidazolidine-2,4-dione?
The canonical SMILES for 1,5-dimethyl-3-[2-methyl-4-(trifluoromethyl)-1H-pyridin-2-yl]imidazolidine-2,4-dione is CC1C(=O)N(C2(C)C=C(C(F)(F)F)C=CN2)C(=O)N1C.
What is the InChIKey of 1,5-dimethyl-3-[2-methyl-4-(trifluoromethyl)-1H-pyridin-2-yl]imidazolidine-2,4-dione?
The InChIKey is SELHVEFGBZCYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c1-7-9(19)18(10(20)17(7)3)11(2)6-8(4-5-16-11)12(13,14)15/h4-7,16H,1-3H3.
What are the key properties of 1,5-dimethyl-3-[2-methyl-4-(trifluoromethyl)-1H-pyridin-2-yl]imidazolidine-2,4-dione?
1,5-dimethyl-3-[2-methyl-4-(trifluoromethyl)-1H-pyridin-2-yl]imidazolidine-2,4-dione has a molecular weight of 289.26 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-[2-methyl-4-(trifluoromethyl)-1H-pyridin-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 162606608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).