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

C20H18F3N3O4 — CID 71090545

IUPAC5,5-dimethyl-3-[5-methyl-2-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione
SMILESCc1cnc(Oc2ccc3c(c2)C(C(F)(F)F)OC3)c(N2C(=O)NC(C)(C)C2=O)c1
InChIInChI=1S/C20H18F3N3O4/c1-10-6-14(26-17(27)19(2,3)25-18(26)28)16(24-8-10)30-12-5-4-11-9-29-15(13(11)7-12)20(21,22)23/h4-8,15H,9H2,1-3H3,(H,25,28)
InChIKeyKNWBUCNKNHMNEM-UHFFFAOYSA-N
MW421.38 g/mol
LogP4.15
Rot. Bonds3

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

5,5-dimethyl-3-[5-methyl-2-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione (PubChem CID 71090545) has the molecular formula C20H18F3N3O4 and a molecular weight of 421.38 g/mol. Its IUPAC name is 5,5-dimethyl-3-[5-methyl-2-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[5-methyl-2-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione
PubChem CID71090545
Molecular FormulaC20H18F3N3O4
Molecular Weight421.38 g/mol
Exact Mass421.12
IUPAC Name5,5-dimethyl-3-[5-methyl-2-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione
SMILESCc1cnc(Oc2ccc3c(c2)C(C(F)(F)F)OC3)c(N2C(=O)NC(C)(C)C2=O)c1
InChIInChI=1S/C20H18F3N3O4/c1-10-6-14(26-17(27)19(2,3)25-18(26)28)16(24-8-10)30-12-5-4-11-9-29-15(13(11)7-12)20(21,22)23/h4-8,15H,9H2,1-3H3,(H,25,28)
InChIKeyKNWBUCNKNHMNEM-UHFFFAOYSA-N
XLogP4.15
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.38
LogP ≤ 54.15
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-[5-methyl-2-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[5-methyl-2-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione (CID 71090545) is 5,5-dimethyl-3-[5-methyl-2-[[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-[5-methyl-2-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[5-methyl-2-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione is Cc1cnc(Oc2ccc3c(c2)C(C(F)(F)F)OC3)c(N2C(=O)NC(C)(C)C2=O)c1.
What is the InChIKey of 5,5-dimethyl-3-[5-methyl-2-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione?
The InChIKey is KNWBUCNKNHMNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O4/c1-10-6-14(26-17(27)19(2,3)25-18(26)28)16(24-8-10)30-12-5-4-11-9-29-15(13(11)7-12)20(21,22)23/h4-8,15H,9H2,1-3H3,(H,25,28).
What are the key properties of 5,5-dimethyl-3-[5-methyl-2-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[5-methyl-2-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione has a molecular weight of 421.38 g/mol, XLogP of 4.15, 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-[5-methyl-2-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione is sourced from PubChem (CID 71090545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).