3-[6-[(3,3-dimethyl-1H-2-benzofuran-5-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione

C20H21N3O4 — CID 118945967

IUPAC3-[6-[(3,3-dimethyl-1H-2-benzofuran-5-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(c2ccc(Oc3ccc4c(c3)C(C)(C)OC4)nc2)C1=O
InChIInChI=1S/C20H21N3O4/c1-19(2)17(24)23(18(25)22-19)13-6-8-16(21-10-13)27-14-7-5-12-11-26-20(3,4)15(12)9-14/h5-10H,11H2,1-4H3,(H,22,25)
InChIKeyGMXHBQCTYIYGAG-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.47
Rot. Bonds3

About 3-[6-[(3,3-dimethyl-1H-2-benzofuran-5-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione

3-[6-[(3,3-dimethyl-1H-2-benzofuran-5-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 118945967) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 3-[6-[(3,3-dimethyl-1H-2-benzofuran-5-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[6-[(3,3-dimethyl-1H-2-benzofuran-5-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID118945967
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name3-[6-[(3,3-dimethyl-1H-2-benzofuran-5-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(c2ccc(Oc3ccc4c(c3)C(C)(C)OC4)nc2)C1=O
InChIInChI=1S/C20H21N3O4/c1-19(2)17(24)23(18(25)22-19)13-6-8-16(21-10-13)27-14-7-5-12-11-26-20(3,4)15(12)9-14/h5-10H,11H2,1-4H3,(H,22,25)
InChIKeyGMXHBQCTYIYGAG-UHFFFAOYSA-N
XLogP3.47
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[6-[(3,3-dimethyl-1H-2-benzofuran-5-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione with MolForge

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Related Compounds

(5R)-5-ethyl-5-methyl-3-(6-spiro[1H-2-benzofuran-3,1'-cyclopentane]-5-yloxy-3-pyridinyl)imidazolidine-2,4-dione
CID 71090096
3-[6-[(3-ethyl-3-methyl-1H-2-benzofuran-4-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione
CID 123406731
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
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
3-[6-(2,6-dimethylphenoxy)-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione
CID 53241836
(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
(5R)-3-[6-[(3,3-dimethyl-1H-2-benzofuran-4-yl)oxy]-3-pyridinyl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 57411186
3-[6-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione
CID 57410331
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
5,5-dimethyl-3-[6-[(4-methyl-3,4-dihydro-2H-chromen-5-yl)oxy]-3-pyridinyl]imidazolidine-2,4-dione
CID 158408774
2-amino-N-[6-[(3,3-dimethyl-1H-2-benzofuran-5-yl)oxy]-3-pyridinyl]butanamide
CID 71090057
(5R)-5-ethyl-5-methyl-3-[5-methyl-6-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione
CID 71090336

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(3,3-dimethyl-1H-2-benzofuran-5-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[6-[(3,3-dimethyl-1H-2-benzofuran-5-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione (CID 118945967) is 3-[6-[(3,3-dimethyl-1H-2-benzofuran-5-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[6-[(3,3-dimethyl-1H-2-benzofuran-5-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[6-[(3,3-dimethyl-1H-2-benzofuran-5-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(c2ccc(Oc3ccc4c(c3)C(C)(C)OC4)nc2)C1=O.
What is the InChIKey of 3-[6-[(3,3-dimethyl-1H-2-benzofuran-5-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is GMXHBQCTYIYGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-19(2)17(24)23(18(25)22-19)13-6-8-16(21-10-13)27-14-7-5-12-11-26-20(3,4)15(12)9-14/h5-10H,11H2,1-4H3,(H,22,25).
What are the key properties of 3-[6-[(3,3-dimethyl-1H-2-benzofuran-5-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[6-[(3,3-dimethyl-1H-2-benzofuran-5-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 367.41 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(3,3-dimethyl-1H-2-benzofuran-5-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 118945967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).