1-(4-hydroxy-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione

C13H13N3O4 — CID 175832843

IUPAC1-(4-hydroxy-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
SMILESCn1c(=O)n(N2C(=O)CCCC2=O)c2cccc(O)c21
InChIInChI=1S/C13H13N3O4/c1-14-12-8(4-2-5-9(12)17)15(13(14)20)16-10(18)6-3-7-11(16)19/h2,4-5,17H,3,6-7H2,1H3
InChIKeyDYORYUWDHOWKBY-UHFFFAOYSA-N
MW275.26 g/mol
LogP0.22
Rot. Bonds1

About 1-(4-hydroxy-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione

1-(4-hydroxy-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione (PubChem CID 175832843) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name1-(4-hydroxy-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
PubChem CID175832843
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name1-(4-hydroxy-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
SMILESCn1c(=O)n(N2C(=O)CCCC2=O)c2cccc(O)c21
InChIInChI=1S/C13H13N3O4/c1-14-12-8(4-2-5-9(12)17)15(13(14)20)16-10(18)6-3-7-11(16)19/h2,4-5,17H,3,6-7H2,1H3
InChIKeyDYORYUWDHOWKBY-UHFFFAOYSA-N
XLogP0.22
TPSA84.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione?
The IUPAC name of 1-(4-hydroxy-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione (CID 175832843) is 1-(4-hydroxy-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 1-(4-hydroxy-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione?
The canonical SMILES for 1-(4-hydroxy-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione is Cn1c(=O)n(N2C(=O)CCCC2=O)c2cccc(O)c21.
What is the InChIKey of 1-(4-hydroxy-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione?
The InChIKey is DYORYUWDHOWKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-14-12-8(4-2-5-9(12)17)15(13(14)20)16-10(18)6-3-7-11(16)19/h2,4-5,17H,3,6-7H2,1H3.
What are the key properties of 1-(4-hydroxy-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione?
1-(4-hydroxy-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione has a molecular weight of 275.26 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 175832843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).