5-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazolidine-2,4-dione

C14H16N2O4 — CID 16783888

IUPAC5-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazolidine-2,4-dione
SMILESCCOc1cc2c(cc1C1NC(=O)NC1=O)OC(C)C2
InChIInChI=1S/C14H16N2O4/c1-3-19-11-5-8-4-7(2)20-10(8)6-9(11)12-13(17)16-14(18)15-12/h5-7,12H,3-4H2,1-2H3,(H2,15,16,17,18)
InChIKeyWYGQIDPIGICOBB-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.29
Rot. Bonds3

About 5-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazolidine-2,4-dione

5-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazolidine-2,4-dione (PubChem CID 16783888) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 5-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazolidine-2,4-dione
PubChem CID16783888
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name5-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazolidine-2,4-dione
SMILESCCOc1cc2c(cc1C1NC(=O)NC1=O)OC(C)C2
InChIInChI=1S/C14H16N2O4/c1-3-19-11-5-8-4-7(2)20-10(8)6-9(11)12-13(17)16-14(18)15-12/h5-7,12H,3-4H2,1-2H3,(H2,15,16,17,18)
InChIKeyWYGQIDPIGICOBB-UHFFFAOYSA-N
XLogP1.29
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5,5-dimethylpyrrolidin-2-one
CID 66107409
2-amino-4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,4-dihydroimidazol-5-one
CID 82996620
4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)piperidine
CID 63156343
cis-(1R,2S)-2-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]cyclopropane-1-carboxylic acid
CID 51888079
(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-carboxylate
CID 7874317
4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepin-7-one
CID 135632918
[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylazanium
CID 7129379
3-[[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]carbamoyl-methylamino]propanoic acid
CID 122001284
2-amino-2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid
CID 24695376
2-amino-1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanol
CID 43209051
2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-iodo-1H-pyrimidin-6-one
CID 66313740
(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl methanesulfonate
CID 102620688

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazolidine-2,4-dione?
The IUPAC name of 5-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazolidine-2,4-dione (CID 16783888) is 5-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazolidine-2,4-dione is CCOc1cc2c(cc1C1NC(=O)NC1=O)OC(C)C2.
What is the InChIKey of 5-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazolidine-2,4-dione?
The InChIKey is WYGQIDPIGICOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-3-19-11-5-8-4-7(2)20-10(8)6-9(11)12-13(17)16-14(18)15-12/h5-7,12H,3-4H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 5-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazolidine-2,4-dione?
5-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazolidine-2,4-dione has a molecular weight of 276.29 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 16783888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).