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

C20H22N2O4 — CID 34606806

IUPAC1-cyclohexyl-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
SMILESO=C(CN1C(=O)C(=O)N(C2CCCCC2)C1=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C20H22N2O4/c23-17(15-10-9-13-5-4-6-14(13)11-15)12-21-18(24)19(25)22(20(21)26)16-7-2-1-3-8-16/h9-11,16H,1-8,12H2
InChIKeyPWKUQLHJJJENAV-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.48
Rot. Bonds4

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

1-cyclohexyl-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione (PubChem CID 34606806) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
PubChem CID34606806
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name1-cyclohexyl-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
SMILESO=C(CN1C(=O)C(=O)N(C2CCCCC2)C1=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C20H22N2O4/c23-17(15-10-9-13-5-4-6-14(13)11-15)12-21-18(24)19(25)22(20(21)26)16-7-2-1-3-8-16/h9-11,16H,1-8,12H2
InChIKeyPWKUQLHJJJENAV-UHFFFAOYSA-N
XLogP2.48
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.48
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-cyclopentyl-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 33489866
1-cyclohexyl-3-phenacylimidazolidine-2,4,5-trione
CID 34603406
1-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-cyclohexylimidazolidine-2,4,5-trione
CID 34604510
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-butyl-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 7738283
2-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid
CID 122148902
2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 2438857
1-cyclopentyl-3-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 38866732
1-cyclopentyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 31394641
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone
CID 83219100
1-cyclopentyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]imidazolidine-2,4,5-trione
CID 2663294

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-cyclohexyl-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione (CID 34606806) is 1-cyclohexyl-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-cyclohexyl-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-cyclohexyl-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione is O=C(CN1C(=O)C(=O)N(C2CCCCC2)C1=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-cyclohexyl-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione?
The InChIKey is PWKUQLHJJJENAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c23-17(15-10-9-13-5-4-6-14(13)11-15)12-21-18(24)19(25)22(20(21)26)16-7-2-1-3-8-16/h9-11,16H,1-8,12H2.
What are the key properties of 1-cyclohexyl-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione?
1-cyclohexyl-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione has a molecular weight of 354.41 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 34606806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).