3-(5-ethyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione

C15H17N3O3 — CID 138727888

IUPAC3-(5-ethyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
SMILESCCc1ccc2c(c1)n(C)c(=O)n2C1CCC(=O)NC1=O
InChIInChI=1S/C15H17N3O3/c1-3-9-4-5-10-12(8-9)17(2)15(21)18(10)11-6-7-13(19)16-14(11)20/h4-5,8,11H,3,6-7H2,1-2H3,(H,16,19,20)
InChIKeyPPXRTJIAEIKJJB-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.88
Rot. Bonds2

About 3-(5-ethyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione

3-(5-ethyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione (PubChem CID 138727888) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-(5-ethyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(5-ethyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
PubChem CID138727888
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name3-(5-ethyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
SMILESCCc1ccc2c(c1)n(C)c(=O)n2C1CCC(=O)NC1=O
InChIInChI=1S/C15H17N3O3/c1-3-9-4-5-10-12(8-9)17(2)15(21)18(10)11-6-7-13(19)16-14(11)20/h4-5,8,11H,3,6-7H2,1-2H3,(H,16,19,20)
InChIKeyPPXRTJIAEIKJJB-UHFFFAOYSA-N
XLogP0.88
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.88
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-(5-ethyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione?
The IUPAC name of 3-(5-ethyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione (CID 138727888) is 3-(5-ethyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(5-ethyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(5-ethyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione is CCc1ccc2c(c1)n(C)c(=O)n2C1CCC(=O)NC1=O.
What is the InChIKey of 3-(5-ethyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione?
The InChIKey is PPXRTJIAEIKJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-3-9-4-5-10-12(8-9)17(2)15(21)18(10)11-6-7-13(19)16-14(11)20/h4-5,8,11H,3,6-7H2,1-2H3,(H,16,19,20).
What are the key properties of 3-(5-ethyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione?
3-(5-ethyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione has a molecular weight of 287.32 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 138727888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).