5,5-dimethyl-3-[6-[4-methyl-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]imidazolidine-2,4-dione

C18H16F3N3O4 — CID 53240510

IUPAC5,5-dimethyl-3-[6-[4-methyl-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]imidazolidine-2,4-dione
SMILESCc1ccc(Oc2ccc(N3C(=O)NC(C)(C)C3=O)cn2)cc1OC(F)(F)F
InChIInChI=1S/C18H16F3N3O4/c1-10-4-6-12(8-13(10)28-18(19,20)21)27-14-7-5-11(9-22-14)24-15(25)17(2,3)23-16(24)26/h4-9H,1-3H3,(H,23,26)
InChIKeyVXCFTYWNOQFXHH-UHFFFAOYSA-N
MW395.34 g/mol
LogP3.92
Rot. Bonds4

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

5,5-dimethyl-3-[6-[4-methyl-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]imidazolidine-2,4-dione (PubChem CID 53240510) has the molecular formula C18H16F3N3O4 and a molecular weight of 395.34 g/mol. Its IUPAC name is 5,5-dimethyl-3-[6-[4-methyl-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[6-[4-methyl-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]imidazolidine-2,4-dione
PubChem CID53240510
Molecular FormulaC18H16F3N3O4
Molecular Weight395.34 g/mol
Exact Mass395.11
IUPAC Name5,5-dimethyl-3-[6-[4-methyl-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]imidazolidine-2,4-dione
SMILESCc1ccc(Oc2ccc(N3C(=O)NC(C)(C)C3=O)cn2)cc1OC(F)(F)F
InChIInChI=1S/C18H16F3N3O4/c1-10-4-6-12(8-13(10)28-18(19,20)21)27-14-7-5-11(9-22-14)24-15(25)17(2,3)23-16(24)26/h4-9H,1-3H3,(H,23,26)
InChIKeyVXCFTYWNOQFXHH-UHFFFAOYSA-N
XLogP3.92
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.34
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[4-methyl-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[6-[4-methyl-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]imidazolidine-2,4-dione (CID 53240510) is 5,5-dimethyl-3-[6-[4-methyl-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[6-[4-methyl-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[6-[4-methyl-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]imidazolidine-2,4-dione is Cc1ccc(Oc2ccc(N3C(=O)NC(C)(C)C3=O)cn2)cc1OC(F)(F)F.
What is the InChIKey of 5,5-dimethyl-3-[6-[4-methyl-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]imidazolidine-2,4-dione?
The InChIKey is VXCFTYWNOQFXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O4/c1-10-4-6-12(8-13(10)28-18(19,20)21)27-14-7-5-11(9-22-14)24-15(25)17(2,3)23-16(24)26/h4-9H,1-3H3,(H,23,26).
What are the key properties of 5,5-dimethyl-3-[6-[4-methyl-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[6-[4-methyl-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]imidazolidine-2,4-dione has a molecular weight of 395.34 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[6-[4-methyl-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]imidazolidine-2,4-dione is sourced from PubChem (CID 53240510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).