5-ethyl-3-[6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]imidazolidine-2,4-dione

C21H23N3O4 — CID 76527058

IUPAC5-ethyl-3-[6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]imidazolidine-2,4-dione
SMILESCCC1NC(=O)N(c2ccc(Oc3ccc(C)c4c3C(C)(C)CO4)nc2)C1=O
InChIInChI=1S/C21H23N3O4/c1-5-14-19(25)24(20(26)23-14)13-7-9-16(22-10-13)28-15-8-6-12(2)18-17(15)21(3,4)11-27-18/h6-10,14H,5,11H2,1-4H3,(H,23,26)
InChIKeyYHKIKNMCENTLLI-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.69
Rot. Bonds4

About 5-ethyl-3-[6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]imidazolidine-2,4-dione

5-ethyl-3-[6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]imidazolidine-2,4-dione (PubChem CID 76527058) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 5-ethyl-3-[6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-3-[6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]imidazolidine-2,4-dione
PubChem CID76527058
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name5-ethyl-3-[6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]imidazolidine-2,4-dione
SMILESCCC1NC(=O)N(c2ccc(Oc3ccc(C)c4c3C(C)(C)CO4)nc2)C1=O
InChIInChI=1S/C21H23N3O4/c1-5-14-19(25)24(20(26)23-14)13-7-9-16(22-10-13)28-15-8-6-12(2)18-17(15)21(3,4)11-27-18/h6-10,14H,5,11H2,1-4H3,(H,23,26)
InChIKeyYHKIKNMCENTLLI-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
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-ethyl-3-[6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]imidazolidine-2,4-dione?
The IUPAC name of 5-ethyl-3-[6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]imidazolidine-2,4-dione (CID 76527058) is 5-ethyl-3-[6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-ethyl-3-[6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-ethyl-3-[6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]imidazolidine-2,4-dione is CCC1NC(=O)N(c2ccc(Oc3ccc(C)c4c3C(C)(C)CO4)nc2)C1=O.
What is the InChIKey of 5-ethyl-3-[6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]imidazolidine-2,4-dione?
The InChIKey is YHKIKNMCENTLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-5-14-19(25)24(20(26)23-14)13-7-9-16(22-10-13)28-15-8-6-12(2)18-17(15)21(3,4)11-27-18/h6-10,14H,5,11H2,1-4H3,(H,23,26).
What are the key properties of 5-ethyl-3-[6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]imidazolidine-2,4-dione?
5-ethyl-3-[6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]imidazolidine-2,4-dione has a molecular weight of 381.43 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]imidazolidine-2,4-dione is sourced from PubChem (CID 76527058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).