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

C14H15N3O3 — CID 138496332

IUPAC3-(3,5-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
SMILESCc1ccc2c(c1)n(C)c(=O)n2C1CCC(=O)NC1=O
InChIInChI=1S/C14H15N3O3/c1-8-3-4-9-11(7-8)16(2)14(20)17(9)10-5-6-12(18)15-13(10)19/h3-4,7,10H,5-6H2,1-2H3,(H,15,18,19)
InChIKeyCYPBVBOKRKWRIH-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.63
Rot. Bonds1

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

3-(3,5-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione (PubChem CID 138496332) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-(3,5-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(3,5-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
PubChem CID138496332
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name3-(3,5-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
SMILESCc1ccc2c(c1)n(C)c(=O)n2C1CCC(=O)NC1=O
InChIInChI=1S/C14H15N3O3/c1-8-3-4-9-11(7-8)16(2)14(20)17(9)10-5-6-12(18)15-13(10)19/h3-4,7,10H,5-6H2,1-2H3,(H,15,18,19)
InChIKeyCYPBVBOKRKWRIH-UHFFFAOYSA-N
XLogP0.63
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.63
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-(3,5-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione?
The IUPAC name of 3-(3,5-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione (CID 138496332) is 3-(3,5-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(3,5-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(3,5-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione is Cc1ccc2c(c1)n(C)c(=O)n2C1CCC(=O)NC1=O.
What is the InChIKey of 3-(3,5-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione?
The InChIKey is CYPBVBOKRKWRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-8-3-4-9-11(7-8)16(2)14(20)17(9)10-5-6-12(18)15-13(10)19/h3-4,7,10H,5-6H2,1-2H3,(H,15,18,19).
What are the key properties of 3-(3,5-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione?
3-(3,5-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione has a molecular weight of 273.29 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 138496332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).