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'}

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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).