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

C21H23N3O4 — CID 57411186

IUPAC(5R)-3-[6-[(3,3-dimethyl-1H-2-benzofuran-4-yl)oxy]-3-pyridinyl]-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCC[C@@]1(C)NC(=O)N(c2ccc(Oc3cccc4c3C(C)(C)OC4)nc2)C1=O
InChIInChI=1S/C21H23N3O4/c1-5-21(4)18(25)24(19(26)23-21)14-9-10-16(22-11-14)28-15-8-6-7-13-12-27-20(2,3)17(13)15/h6-11H,5,12H2,1-4H3,(H,23,26)/t21-/m1/s1
InChIKeyQHYRGKMMPURNST-OAQYLSRUSA-N
MW381.43 g/mol
LogP3.86
Rot. Bonds4

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

(5R)-3-[6-[(3,3-dimethyl-1H-2-benzofuran-4-yl)oxy]-3-pyridinyl]-5-ethyl-5-methylimidazolidine-2,4-dione (PubChem CID 57411186) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is (5R)-3-[6-[(3,3-dimethyl-1H-2-benzofuran-4-yl)oxy]-3-pyridinyl]-5-ethyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[6-[(3,3-dimethyl-1H-2-benzofuran-4-yl)oxy]-3-pyridinyl]-5-ethyl-5-methylimidazolidine-2,4-dione
PubChem CID57411186
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name(5R)-3-[6-[(3,3-dimethyl-1H-2-benzofuran-4-yl)oxy]-3-pyridinyl]-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCC[C@@]1(C)NC(=O)N(c2ccc(Oc3cccc4c3C(C)(C)OC4)nc2)C1=O
InChIInChI=1S/C21H23N3O4/c1-5-21(4)18(25)24(19(26)23-21)14-9-10-16(22-11-14)28-15-8-6-7-13-12-27-20(2,3)17(13)15/h6-11H,5,12H2,1-4H3,(H,23,26)/t21-/m1/s1
InChIKeyQHYRGKMMPURNST-OAQYLSRUSA-N
XLogP3.86
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-[6-[(3,3-dimethyl-1,4-dihydroisochromen-5-yl)oxy]-3-pyridinyl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 57411183
3-[6-[(3-ethyl-3-methyl-1H-2-benzofuran-4-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione
CID 123406731
(5R)-5-ethyl-5-methyl-3-[6-[[(3S)-3-methyl-3,4-dihydro-2H-chromen-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione
CID 152700236
(5R)-5-ethyl-5-methyl-3-(6-spiro[1H-2-benzofuran-3,1'-cyclopentane]-5-yloxy-3-pyridinyl)imidazolidine-2,4-dione
CID 71090096
(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
3-cyclopropyl-4-[[5-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]benzonitrile
CID 53241113
3-[6-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione
CID 57410331
3-[6-[(3,3-dimethyl-1H-2-benzofuran-5-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione
CID 118945967
(5R)-5-ethyl-5-methyl-3-(5-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyrazin-2-yl)imidazolidine-2,4-dione
CID 146486754
(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
(5R)-5-ethyl-5-methyl-3-[2-(7-methylspiro[1H-2-benzofuran-3,1'-cyclobutane]-4-yl)oxypyrimidin-5-yl]imidazolidine-2,4-dione
CID 67959980
5,5-dimethyl-3-[6-[(4-methyl-3,4-dihydro-2H-chromen-5-yl)oxy]-3-pyridinyl]imidazolidine-2,4-dione
CID 158408774

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[6-[(3,3-dimethyl-1H-2-benzofuran-4-yl)oxy]-3-pyridinyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[6-[(3,3-dimethyl-1H-2-benzofuran-4-yl)oxy]-3-pyridinyl]-5-ethyl-5-methylimidazolidine-2,4-dione (CID 57411186) is (5R)-3-[6-[(3,3-dimethyl-1H-2-benzofuran-4-yl)oxy]-3-pyridinyl]-5-ethyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[6-[(3,3-dimethyl-1H-2-benzofuran-4-yl)oxy]-3-pyridinyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[6-[(3,3-dimethyl-1H-2-benzofuran-4-yl)oxy]-3-pyridinyl]-5-ethyl-5-methylimidazolidine-2,4-dione is CC[C@@]1(C)NC(=O)N(c2ccc(Oc3cccc4c3C(C)(C)OC4)nc2)C1=O.
What is the InChIKey of (5R)-3-[6-[(3,3-dimethyl-1H-2-benzofuran-4-yl)oxy]-3-pyridinyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
The InChIKey is QHYRGKMMPURNST-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-5-21(4)18(25)24(19(26)23-21)14-9-10-16(22-11-14)28-15-8-6-7-13-12-27-20(2,3)17(13)15/h6-11H,5,12H2,1-4H3,(H,23,26)/t21-/m1/s1.
What are the key properties of (5R)-3-[6-[(3,3-dimethyl-1H-2-benzofuran-4-yl)oxy]-3-pyridinyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
(5R)-3-[6-[(3,3-dimethyl-1H-2-benzofuran-4-yl)oxy]-3-pyridinyl]-5-ethyl-5-methylimidazolidine-2,4-dione has a molecular weight of 381.43 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[6-[(3,3-dimethyl-1H-2-benzofuran-4-yl)oxy]-3-pyridinyl]-5-ethyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 57411186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).