1-cyclopentyl-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione

C18H18N2O5 — CID 33489866

IUPAC1-cyclopentyl-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
SMILESO=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H18N2O5/c21-14(11-5-6-15-12(9-11)7-8-25-15)10-19-16(22)17(23)20(18(19)24)13-3-1-2-4-13/h5-6,9,13H,1-4,7-8,10H2
InChIKeyQGXZZRNSNWKWJP-UHFFFAOYSA-N
MW342.35 g/mol
LogP1.54
Rot. Bonds4

About 1-cyclopentyl-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione

1-cyclopentyl-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione (PubChem CID 33489866) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
PubChem CID33489866
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name1-cyclopentyl-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
SMILESO=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H18N2O5/c21-14(11-5-6-15-12(9-11)7-8-25-15)10-19-16(22)17(23)20(18(19)24)13-3-1-2-4-13/h5-6,9,13H,1-4,7-8,10H2
InChIKeyQGXZZRNSNWKWJP-UHFFFAOYSA-N
XLogP1.54
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-cyclopentyl-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione with MolForge

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Related Compounds

1-cyclohexyl-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 34606806
2-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]isoindole-1,3-dione
CID 47016579
2-(4-cyclopropylpiperazin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 61440412
3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 33406346
(5R,6R)-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 33407230
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanone
CID 79188551
2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 2438857
2-(3-aminopyrrolidin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 63068559
1-cyclohexyl-3-[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4,5-trione
CID 55546886
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(1,4-oxathian-4-ium-4-yl)ethanone
CID 154010141
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanone
CID 63217755
3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanal
CID 116821577

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-cyclopentyl-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione (CID 33489866) is 1-cyclopentyl-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-cyclopentyl-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-cyclopentyl-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione is O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-cyclopentyl-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione?
The InChIKey is QGXZZRNSNWKWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c21-14(11-5-6-15-12(9-11)7-8-25-15)10-19-16(22)17(23)20(18(19)24)13-3-1-2-4-13/h5-6,9,13H,1-4,7-8,10H2.
What are the key properties of 1-cyclopentyl-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione?
1-cyclopentyl-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione has a molecular weight of 342.35 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 33489866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).