3-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione

C13H13N3O3 — CID 138467239

IUPAC3-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
SMILESCn1c(=O)n(C2CCC(=O)NC2=O)c2ccccc21
InChIInChI=1S/C13H13N3O3/c1-15-8-4-2-3-5-9(8)16(13(15)19)10-6-7-11(17)14-12(10)18/h2-5,10H,6-7H2,1H3,(H,14,17,18)
InChIKeyVFDZUWPTOYTMAL-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.32
Rot. Bonds1

About 3-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione

3-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione (PubChem CID 138467239) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 3-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
PubChem CID138467239
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name3-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
SMILESCn1c(=O)n(C2CCC(=O)NC2=O)c2ccccc21
InChIInChI=1S/C13H13N3O3/c1-15-8-4-2-3-5-9(8)16(13(15)19)10-6-7-11(17)14-12(10)18/h2-5,10H,6-7H2,1H3,(H,14,17,18)
InChIKeyVFDZUWPTOYTMAL-UHFFFAOYSA-N
XLogP0.32
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.32
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-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione?
The IUPAC name of 3-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione (CID 138467239) is 3-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione is Cn1c(=O)n(C2CCC(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione?
The InChIKey is VFDZUWPTOYTMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-15-8-4-2-3-5-9(8)16(13(15)19)10-6-7-11(17)14-12(10)18/h2-5,10H,6-7H2,1H3,(H,14,17,18).
What are the key properties of 3-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione?
3-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione has a molecular weight of 259.26 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 138467239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).