3-[6-(1-cyclohexylimidazol-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C22H24N4O3 — CID 171075927

IUPAC3-[6-(1-cyclohexylimidazol-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(-c4nccn4C4CCCCC4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C22H24N4O3/c27-19-9-8-18(21(28)24-19)26-13-15-12-14(6-7-17(15)22(26)29)20-23-10-11-25(20)16-4-2-1-3-5-16/h6-7,10-12,16,18H,1-5,8-9,13H2,(H,24,27,28)
InChIKeyWJSYJMRYEWQYGS-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.82
Rot. Bonds3

About 3-[6-(1-cyclohexylimidazol-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-(1-cyclohexylimidazol-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 171075927) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-[6-(1-cyclohexylimidazol-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-(1-cyclohexylimidazol-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID171075927
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name3-[6-(1-cyclohexylimidazol-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(-c4nccn4C4CCCCC4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C22H24N4O3/c27-19-9-8-18(21(28)24-19)26-13-15-12-14(6-7-17(15)22(26)29)20-23-10-11-25(20)16-4-2-1-3-5-16/h6-7,10-12,16,18H,1-5,8-9,13H2,(H,24,27,28)
InChIKeyWJSYJMRYEWQYGS-UHFFFAOYSA-N
XLogP2.82
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[6-(1-cyclohexylimidazol-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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Related Compounds

3-[6-(2-ethyl-1,2,4-triazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167762203
3-(6-imidazo[1,2-a]pyrazin-6-yl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 177241125
3-[6-(5-methyl-1H-pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162723744
3-[6-(1-cyclobutyl-4,5-diphenylimidazol-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177240802
3-(3-oxo-6-pyrido[3,4-b]pyrazin-5-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167929770
3-[6-(2-methylphenyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167767771
3-[6-(5-cyclopentyl-1-methylpyrazol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075153
3-[3-oxo-6-(2-propan-2-ylpyrazol-3-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166425756
3-[3-oxo-6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162723774
(3S)-3-[6-(1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156867503
3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 71517902
3-[6-(6-amino-3-methyl-2-pyridinyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170077033

Frequently Asked Questions

What is the IUPAC name of 3-[6-(1-cyclohexylimidazol-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-(1-cyclohexylimidazol-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 171075927) is 3-[6-(1-cyclohexylimidazol-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-(1-cyclohexylimidazol-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-(1-cyclohexylimidazol-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cc(-c4nccn4C4CCCCC4)ccc3C2=O)C(=O)N1.
What is the InChIKey of 3-[6-(1-cyclohexylimidazol-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is WJSYJMRYEWQYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c27-19-9-8-18(21(28)24-19)26-13-15-12-14(6-7-17(15)22(26)29)20-23-10-11-25(20)16-4-2-1-3-5-16/h6-7,10-12,16,18H,1-5,8-9,13H2,(H,24,27,28).
What are the key properties of 3-[6-(1-cyclohexylimidazol-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[6-(1-cyclohexylimidazol-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 392.46 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1-cyclohexylimidazol-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 171075927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).