3-(2-oxo-3H-benzimidazol-1-yl)piperidine-2,6-dione

C12H11N3O3 — CID 138467350

IUPAC3-(2-oxo-3H-benzimidazol-1-yl)piperidine-2,6-dione
SMILESO=C1CCC(n2c(=O)[nH]c3ccccc32)C(=O)N1
InChIInChI=1S/C12H11N3O3/c16-10-6-5-9(11(17)14-10)15-8-4-2-1-3-7(8)13-12(15)18/h1-4,9H,5-6H2,(H,13,18)(H,14,16,17)
InChIKeyQLCUDVBURPZIDD-UHFFFAOYSA-N
MW245.24 g/mol
LogP0.31
Rot. Bonds1

About 3-(2-oxo-3H-benzimidazol-1-yl)piperidine-2,6-dione

3-(2-oxo-3H-benzimidazol-1-yl)piperidine-2,6-dione (PubChem CID 138467350) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 3-(2-oxo-3H-benzimidazol-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(2-oxo-3H-benzimidazol-1-yl)piperidine-2,6-dione
PubChem CID138467350
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name3-(2-oxo-3H-benzimidazol-1-yl)piperidine-2,6-dione
SMILESO=C1CCC(n2c(=O)[nH]c3ccccc32)C(=O)N1
InChIInChI=1S/C12H11N3O3/c16-10-6-5-9(11(17)14-10)15-8-4-2-1-3-7(8)13-12(15)18/h1-4,9H,5-6H2,(H,13,18)(H,14,16,17)
InChIKeyQLCUDVBURPZIDD-UHFFFAOYSA-N
XLogP0.31
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-oxo-3H-benzimidazol-1-yl)piperidine-2,6-dione?
The IUPAC name of 3-(2-oxo-3H-benzimidazol-1-yl)piperidine-2,6-dione (CID 138467350) is 3-(2-oxo-3H-benzimidazol-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(2-oxo-3H-benzimidazol-1-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(2-oxo-3H-benzimidazol-1-yl)piperidine-2,6-dione is O=C1CCC(n2c(=O)[nH]c3ccccc32)C(=O)N1.
What is the InChIKey of 3-(2-oxo-3H-benzimidazol-1-yl)piperidine-2,6-dione?
The InChIKey is QLCUDVBURPZIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c16-10-6-5-9(11(17)14-10)15-8-4-2-1-3-7(8)13-12(15)18/h1-4,9H,5-6H2,(H,13,18)(H,14,16,17).
What are the key properties of 3-(2-oxo-3H-benzimidazol-1-yl)piperidine-2,6-dione?
3-(2-oxo-3H-benzimidazol-1-yl)piperidine-2,6-dione has a molecular weight of 245.24 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-3H-benzimidazol-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 138467350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).