3-(3,7-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione

C14H15N3O3 — CID 156836715

IUPAC3-(3,7-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
SMILESCc1cccc2c1n(C1CCC(=O)NC1=O)c(=O)n2C
InChIInChI=1S/C14H15N3O3/c1-8-4-3-5-9-12(8)17(14(20)16(9)2)10-6-7-11(18)15-13(10)19/h3-5,10H,6-7H2,1-2H3,(H,15,18,19)
InChIKeyABZFKJSKWFDYRG-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.63
Rot. Bonds1

About 3-(3,7-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione

3-(3,7-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione (PubChem CID 156836715) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-(3,7-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(3,7-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
PubChem CID156836715
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name3-(3,7-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
SMILESCc1cccc2c1n(C1CCC(=O)NC1=O)c(=O)n2C
InChIInChI=1S/C14H15N3O3/c1-8-4-3-5-9-12(8)17(14(20)16(9)2)10-6-7-11(18)15-13(10)19/h3-5,10H,6-7H2,1-2H3,(H,15,18,19)
InChIKeyABZFKJSKWFDYRG-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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Related Compounds

3-(3,4-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;ethane
CID 163400444
(3S)-3-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 166733310
3-(3-methyl-2-oxo-4-prop-1-en-2-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 164567593
3-[3-methyl-4-(2-methylpropyl)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 166800461
3-(4-ethyl-3,5-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 176933360
3-[4-(4-aminopiperidin-1-yl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 156823555
3-(3-methyl-2-oxo-5-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 138727887
3-[3-methyl-2-oxo-4-(piperidin-4-ylmethyl)benzimidazol-1-yl]piperidine-2,6-dione
CID 146599691
3-[3-methyl-2-oxo-4-(1-propylpiperidin-4-yl)benzimidazol-1-yl]piperidine-2,6-dione
CID 175084296
1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]azetidine-3-carbaldehyde
CID 166537251
3-[4-(3-bromoprop-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 176695597
3-[4-(3-hydroxyprop-1-enyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 155391045

Frequently Asked Questions

What is the IUPAC name of 3-(3,7-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione?
The IUPAC name of 3-(3,7-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione (CID 156836715) is 3-(3,7-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(3,7-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(3,7-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione is Cc1cccc2c1n(C1CCC(=O)NC1=O)c(=O)n2C.
What is the InChIKey of 3-(3,7-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione?
The InChIKey is ABZFKJSKWFDYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-8-4-3-5-9-12(8)17(14(20)16(9)2)10-6-7-11(18)15-13(10)19/h3-5,10H,6-7H2,1-2H3,(H,15,18,19).
What are the key properties of 3-(3,7-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione?
3-(3,7-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-(3,7-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 156836715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).