5,5-dimethyl-3-[6-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione

C19H16F3N3O4 — CID 71113067

IUPAC5,5-dimethyl-3-[6-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(c2ccc(Oc3ccc4c(c3)C(C(F)(F)F)OC4)nc2)C1=O
InChIInChI=1S/C19H16F3N3O4/c1-18(2)16(26)25(17(27)24-18)11-4-6-14(23-8-11)29-12-5-3-10-9-28-15(13(10)7-12)19(20,21)22/h3-8,15H,9H2,1-2H3,(H,24,27)
InChIKeyHYKBZOJSLFUHPQ-UHFFFAOYSA-N
MW407.35 g/mol
LogP3.84
Rot. Bonds3

About 5,5-dimethyl-3-[6-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[6-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione (PubChem CID 71113067) has the molecular formula C19H16F3N3O4 and a molecular weight of 407.35 g/mol. Its IUPAC name is 5,5-dimethyl-3-[6-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[6-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione
PubChem CID71113067
Molecular FormulaC19H16F3N3O4
Molecular Weight407.35 g/mol
Exact Mass407.11
IUPAC Name5,5-dimethyl-3-[6-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(c2ccc(Oc3ccc4c(c3)C(C(F)(F)F)OC4)nc2)C1=O
InChIInChI=1S/C19H16F3N3O4/c1-18(2)16(26)25(17(27)24-18)11-4-6-14(23-8-11)29-12-5-3-10-9-28-15(13(10)7-12)19(20,21)22/h3-8,15H,9H2,1-2H3,(H,24,27)
InChIKeyHYKBZOJSLFUHPQ-UHFFFAOYSA-N
XLogP3.84
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.35
LogP ≤ 53.84
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-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[6-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione (CID 71113067) is 5,5-dimethyl-3-[6-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[6-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[6-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione is CC1(C)NC(=O)N(c2ccc(Oc3ccc4c(c3)C(C(F)(F)F)OC4)nc2)C1=O.
What is the InChIKey of 5,5-dimethyl-3-[6-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione?
The InChIKey is HYKBZOJSLFUHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O4/c1-18(2)16(26)25(17(27)24-18)11-4-6-14(23-8-11)29-12-5-3-10-9-28-15(13(10)7-12)19(20,21)22/h3-8,15H,9H2,1-2H3,(H,24,27).
What are the key properties of 5,5-dimethyl-3-[6-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[6-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione has a molecular weight of 407.35 g/mol, XLogP of 3.84, 3 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-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione is sourced from PubChem (CID 71113067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).