2-[2-(5-cyclohexyl-1H-indol-3-yl)ethyl]isoindole-1,3-dione

C24H24N2O2 — CID 10499546

IUPAC2-[2-(5-cyclohexyl-1H-indol-3-yl)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCc1c[nH]c2ccc(C3CCCCC3)cc12
InChIInChI=1S/C24H24N2O2/c27-23-19-8-4-5-9-20(19)24(28)26(23)13-12-18-15-25-22-11-10-17(14-21(18)22)16-6-2-1-3-7-16/h4-5,8-11,14-16,25H,1-3,6-7,12-13H2
InChIKeyKODHCXJFKAMAOR-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.05
Rot. Bonds4

About 2-[2-(5-cyclohexyl-1H-indol-3-yl)ethyl]isoindole-1,3-dione

2-[2-(5-cyclohexyl-1H-indol-3-yl)ethyl]isoindole-1,3-dione (PubChem CID 10499546) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[2-(5-cyclohexyl-1H-indol-3-yl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(5-cyclohexyl-1H-indol-3-yl)ethyl]isoindole-1,3-dione
PubChem CID10499546
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name2-[2-(5-cyclohexyl-1H-indol-3-yl)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCc1c[nH]c2ccc(C3CCCCC3)cc12
InChIInChI=1S/C24H24N2O2/c27-23-19-8-4-5-9-20(19)24(28)26(23)13-12-18-15-25-22-11-10-17(14-21(18)22)16-6-2-1-3-7-16/h4-5,8-11,14-16,25H,1-3,6-7,12-13H2
InChIKeyKODHCXJFKAMAOR-UHFFFAOYSA-N
XLogP5.05
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(1H-indol-3-yl)propyl]isoindole-1,3-dione
CID 906585
2-[2-(1H-indol-3-yl)ethyl]-5-methylisoindole-1,3-dione
CID 1204633
2-[3-(5-methoxy-1H-indol-3-yl)propyl]isoindole-1,3-dione
CID 906584
[3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1H-indol-5-yl] furan-2-carboxylate
CID 645631
3-[[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrrolidin-3-yl]methyl]-1H-indole-5-carbonitrile
CID 18382006
2-[2-(1H-indol-3-yl)ethyl]-4H-isoquinoline-1,3-dione
CID 3775891
(4Z)-4-(dimethylaminomethylidene)-2-[2-(1H-indol-3-yl)ethyl]isoquinoline-1,3-dione
CID 6512110
2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 906603
2-[4-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]butyl]isoindole-1,3-dione;hydrochloride
CID 19029941
2-[4-[[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]oxy]butyl]isoindole-1,3-dione
CID 22875366
(4-nitrophenyl) 3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1H-indole-5-carboxylate
CID 57206075
2-[2-(2-bromo-3-cyclohexyl-6-methylindol-1-yl)ethyl]isoindole-1,3-dione
CID 66801577

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-cyclohexyl-1H-indol-3-yl)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(5-cyclohexyl-1H-indol-3-yl)ethyl]isoindole-1,3-dione (CID 10499546) is 2-[2-(5-cyclohexyl-1H-indol-3-yl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(5-cyclohexyl-1H-indol-3-yl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(5-cyclohexyl-1H-indol-3-yl)ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCc1c[nH]c2ccc(C3CCCCC3)cc12.
What is the InChIKey of 2-[2-(5-cyclohexyl-1H-indol-3-yl)ethyl]isoindole-1,3-dione?
The InChIKey is KODHCXJFKAMAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c27-23-19-8-4-5-9-20(19)24(28)26(23)13-12-18-15-25-22-11-10-17(14-21(18)22)16-6-2-1-3-7-16/h4-5,8-11,14-16,25H,1-3,6-7,12-13H2.
What are the key properties of 2-[2-(5-cyclohexyl-1H-indol-3-yl)ethyl]isoindole-1,3-dione?
2-[2-(5-cyclohexyl-1H-indol-3-yl)ethyl]isoindole-1,3-dione has a molecular weight of 372.47 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-cyclohexyl-1H-indol-3-yl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 10499546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).