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

C17H12F3N3O4 — CID 151056183

IUPAC3-[6-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1c1ccc(Oc2ccc3c(c2)C(C(F)(F)F)OC3)nc1
InChIInChI=1S/C17H12F3N3O4/c18-17(19,20)15-12-5-11(3-1-9(12)8-26-15)27-13-4-2-10(6-21-13)23-14(24)7-22-16(23)25/h1-6,15H,7-8H2,(H,22,25)
InChIKeyMFEHRSNBVJOCGW-UHFFFAOYSA-N
MW379.29 g/mol
LogP3.06
Rot. Bonds3

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

3-[6-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione (PubChem CID 151056183) has the molecular formula C17H12F3N3O4 and a molecular weight of 379.29 g/mol. Its IUPAC name is 3-[6-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[6-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione
PubChem CID151056183
Molecular FormulaC17H12F3N3O4
Molecular Weight379.29 g/mol
Exact Mass379.08
IUPAC Name3-[6-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1c1ccc(Oc2ccc3c(c2)C(C(F)(F)F)OC3)nc1
InChIInChI=1S/C17H12F3N3O4/c18-17(19,20)15-12-5-11(3-1-9(12)8-26-15)27-13-4-2-10(6-21-13)23-14(24)7-22-16(23)25/h1-6,15H,7-8H2,(H,22,25)
InChIKeyMFEHRSNBVJOCGW-UHFFFAOYSA-N
XLogP3.06
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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

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Related Compounds

(5R)-3-[6-[[(3R)-3-tert-butyl-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 141458184
2-[(3-tert-butyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-5-(4,4-dimethylimidazolidin-1-yl)pyridine
CID 118936370
(5R)-3-[2-[(3-tert-butyl-1,3-dihydro-2-benzofuran-5-yl)oxy]pyrimidin-5-yl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 71089584
3-[6-[(3-tert-butyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-(6-spiro[1H-2-benzofuran-3,1'-cyclobutane]-5-yloxy-3-pyridinyl)imidazolidine-2,4-dione
CID 90024201
3-[6-[(3,3-dimethyl-1H-2-benzofuran-5-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione
CID 118945967
1-[6-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]-3-pyridinyl]pyrrolidin-2-one
CID 11646257
(5R)-5-ethyl-3-[2-[(3-ethyl-1,3-dihydro-2-benzofuran-5-yl)oxy]pyrimidin-5-yl]-5-methylimidazolidine-2,4-dione
CID 71112997
4-[6-[[3-(fluoromethyl)-3-methyl-1H-2-benzofuran-5-yl]oxy]-3-pyridinyl]-3-methyl-1H-1,2,4-triazol-5-one
CID 118030770
5-(3-methyl-1,5-dihydro-1,2,4-triazol-4-yl)-2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridine
CID 146591496
(5R)-5-ethyl-5-methyl-3-(6-spiro[1H-2-benzofuran-3,1'-cyclopentane]-5-yloxy-3-pyridinyl)imidazolidine-2,4-dione
CID 71090096
4-[[5-[(4S)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]-2-(trifluoromethoxy)benzonitrile
CID 162546565
3-[2-[(3-cyclopropyl-1,3-dihydro-2-benzofuran-5-yl)oxy]pyrimidin-5-yl]-4-hydroxy-5-methyl-1H-imidazol-2-one
CID 123521045

Frequently Asked Questions

What is the IUPAC name of 3-[6-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[6-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione (CID 151056183) is 3-[6-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[6-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[6-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1c1ccc(Oc2ccc3c(c2)C(C(F)(F)F)OC3)nc1.
What is the InChIKey of 3-[6-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione?
The InChIKey is MFEHRSNBVJOCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O4/c18-17(19,20)15-12-5-11(3-1-9(12)8-26-15)27-13-4-2-10(6-21-13)23-14(24)7-22-16(23)25/h1-6,15H,7-8H2,(H,22,25).
What are the key properties of 3-[6-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione?
3-[6-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione has a molecular weight of 379.29 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione is sourced from PubChem (CID 151056183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).