3-[3-methyl-5-(methylamino)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione

C14H16N4O3 — CID 138496406

IUPAC3-[3-methyl-5-(methylamino)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
SMILESCNc1ccc2c(c1)n(C)c(=O)n2C1CCC(=O)NC1=O
InChIInChI=1S/C14H16N4O3/c1-15-8-3-4-9-11(7-8)17(2)14(21)18(9)10-5-6-12(19)16-13(10)20/h3-4,7,10,15H,5-6H2,1-2H3,(H,16,19,20)
InChIKeyPTBDUPQCIYWTTH-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.36
Rot. Bonds2

About 3-[3-methyl-5-(methylamino)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione

3-[3-methyl-5-(methylamino)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione (PubChem CID 138496406) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 3-[3-methyl-5-(methylamino)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-methyl-5-(methylamino)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
PubChem CID138496406
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name3-[3-methyl-5-(methylamino)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
SMILESCNc1ccc2c(c1)n(C)c(=O)n2C1CCC(=O)NC1=O
InChIInChI=1S/C14H16N4O3/c1-15-8-3-4-9-11(7-8)17(2)14(21)18(9)10-5-6-12(19)16-13(10)20/h3-4,7,10,15H,5-6H2,1-2H3,(H,16,19,20)
InChIKeyPTBDUPQCIYWTTH-UHFFFAOYSA-N
XLogP0.36
TPSA85.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.36
H-Bond Donors ≤ 52
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 3-[3-methyl-5-(methylamino)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-methyl-5-(methylamino)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione (CID 138496406) is 3-[3-methyl-5-(methylamino)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-methyl-5-(methylamino)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-methyl-5-(methylamino)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione is CNc1ccc2c(c1)n(C)c(=O)n2C1CCC(=O)NC1=O.
What is the InChIKey of 3-[3-methyl-5-(methylamino)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?
The InChIKey is PTBDUPQCIYWTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-15-8-3-4-9-11(7-8)17(2)14(21)18(9)10-5-6-12(19)16-13(10)20/h3-4,7,10,15H,5-6H2,1-2H3,(H,16,19,20).
What are the key properties of 3-[3-methyl-5-(methylamino)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?
3-[3-methyl-5-(methylamino)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione has a molecular weight of 288.31 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methyl-5-(methylamino)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 138496406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).