3-imidazo[1,2-a]benzimidazol-3-ylpiperidine-2,6-dione

C14H12N4O2 — CID 153310417

IUPAC3-imidazo[1,2-a]benzimidazol-3-ylpiperidine-2,6-dione
SMILESO=C1CCC(n2ccn3c4ccccc4nc23)C(=O)N1
InChIInChI=1S/C14H12N4O2/c19-12-6-5-11(13(20)16-12)18-8-7-17-10-4-2-1-3-9(10)15-14(17)18/h1-4,7-8,11H,5-6H2,(H,16,19,20)
InChIKeyGZJJHSYIBOTFJG-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.27
Rot. Bonds1

About 3-imidazo[1,2-a]benzimidazol-3-ylpiperidine-2,6-dione

3-imidazo[1,2-a]benzimidazol-3-ylpiperidine-2,6-dione (PubChem CID 153310417) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 3-imidazo[1,2-a]benzimidazol-3-ylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-imidazo[1,2-a]benzimidazol-3-ylpiperidine-2,6-dione
PubChem CID153310417
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name3-imidazo[1,2-a]benzimidazol-3-ylpiperidine-2,6-dione
SMILESO=C1CCC(n2ccn3c4ccccc4nc23)C(=O)N1
InChIInChI=1S/C14H12N4O2/c19-12-6-5-11(13(20)16-12)18-8-7-17-10-4-2-1-3-9(10)15-14(17)18/h1-4,7-8,11H,5-6H2,(H,16,19,20)
InChIKeyGZJJHSYIBOTFJG-UHFFFAOYSA-N
XLogP1.27
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-indazol-2-ylpiperidine-2,6-dione
CID 138467082
3-indazol-1-ylpiperidine-2,6-dione;hydrochloride
CID 155251099
3-(3-methylindol-1-yl)piperidine-2,6-dione
CID 138467080
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
3-(4-methylindol-1-yl)piperidine-2,6-dione
CID 167418675
(3S)-3-(5-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 129210548
3-(5-fluoro-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 156837320
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
3-(10-bromo-3-oxo-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-2-yl)piperidine-2,6-dione
CID 163259237
3-[4-(4-hydroxypiperidin-1-yl)benzimidazol-1-yl]piperidine-2,6-dione
CID 176963181

Frequently Asked Questions

What is the IUPAC name of 3-imidazo[1,2-a]benzimidazol-3-ylpiperidine-2,6-dione?
The IUPAC name of 3-imidazo[1,2-a]benzimidazol-3-ylpiperidine-2,6-dione (CID 153310417) is 3-imidazo[1,2-a]benzimidazol-3-ylpiperidine-2,6-dione.
What is the SMILES notation for 3-imidazo[1,2-a]benzimidazol-3-ylpiperidine-2,6-dione?
The canonical SMILES for 3-imidazo[1,2-a]benzimidazol-3-ylpiperidine-2,6-dione is O=C1CCC(n2ccn3c4ccccc4nc23)C(=O)N1.
What is the InChIKey of 3-imidazo[1,2-a]benzimidazol-3-ylpiperidine-2,6-dione?
The InChIKey is GZJJHSYIBOTFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c19-12-6-5-11(13(20)16-12)18-8-7-17-10-4-2-1-3-9(10)15-14(17)18/h1-4,7-8,11H,5-6H2,(H,16,19,20).
What are the key properties of 3-imidazo[1,2-a]benzimidazol-3-ylpiperidine-2,6-dione?
3-imidazo[1,2-a]benzimidazol-3-ylpiperidine-2,6-dione has a molecular weight of 268.28 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[1,2-a]benzimidazol-3-ylpiperidine-2,6-dione is sourced from PubChem (CID 153310417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).