1-butyl-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione

C18H20N2O4 — CID 7738283

IUPAC1-butyl-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
SMILESCCCCN1C(=O)C(=O)N(CC(=O)c2ccc3c(c2)CCC3)C1=O
InChIInChI=1S/C18H20N2O4/c1-2-3-9-19-16(22)17(23)20(18(19)24)11-15(21)14-8-7-12-5-4-6-13(12)10-14/h7-8,10H,2-6,9,11H2,1H3
InChIKeyINFPNVFGVSUYMK-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.95
Rot. Bonds6

About 1-butyl-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione

1-butyl-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione (PubChem CID 7738283) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-butyl-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-butyl-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
PubChem CID7738283
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name1-butyl-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
SMILESCCCCN1C(=O)C(=O)N(CC(=O)c2ccc3c(c2)CCC3)C1=O
InChIInChI=1S/C18H20N2O4/c1-2-3-9-19-16(22)17(23)20(18(19)24)11-15(21)14-8-7-12-5-4-6-13(12)10-14/h7-8,10H,2-6,9,11H2,1H3
InChIKeyINFPNVFGVSUYMK-UHFFFAOYSA-N
XLogP1.95
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione
CID 7824027
1-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione
CID 8002233
1-cyclohexyl-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 34606806
1-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]-3-propylimidazolidine-2,4,5-trione
CID 8626894
1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione
CID 91962402
1-(2,3-dihydro-1H-inden-5-yl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone
CID 61238347
1-(5,6,7,8-tetrahydronaphthalen-2-yl)nonan-1-one
CID 65449682
2-butoxy-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 43801226
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone
CID 83219100
1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-(3-ethoxypropyl)imidazolidine-2,4,5-trione
CID 8006003
2-(4-ethylpiperazin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 93191615
(5S)-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 7179307

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-butyl-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione (CID 7738283) is 1-butyl-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-butyl-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-butyl-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione is CCCCN1C(=O)C(=O)N(CC(=O)c2ccc3c(c2)CCC3)C1=O.
What is the InChIKey of 1-butyl-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione?
The InChIKey is INFPNVFGVSUYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-2-3-9-19-16(22)17(23)20(18(19)24)11-15(21)14-8-7-12-5-4-6-13(12)10-14/h7-8,10H,2-6,9,11H2,1H3.
What are the key properties of 1-butyl-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione?
1-butyl-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione has a molecular weight of 328.37 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 7738283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).