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

C15H18N4O3 — CID 155351243

IUPAC3-[3-methyl-5-(methylaminomethyl)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
SMILESCNCc1ccc2c(c1)n(C)c(=O)n2C1CCC(=O)NC1=O
InChIInChI=1S/C15H18N4O3/c1-16-8-9-3-4-10-12(7-9)18(2)15(22)19(10)11-5-6-13(20)17-14(11)21/h3-4,7,11,16H,5-6,8H2,1-2H3,(H,17,20,21)
InChIKeyMCFNJBHOWXLOTG-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.04
Rot. Bonds3

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

3-[3-methyl-5-(methylaminomethyl)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione (PubChem CID 155351243) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-[3-methyl-5-(methylaminomethyl)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-methyl-5-(methylaminomethyl)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
PubChem CID155351243
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name3-[3-methyl-5-(methylaminomethyl)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
SMILESCNCc1ccc2c(c1)n(C)c(=O)n2C1CCC(=O)NC1=O
InChIInChI=1S/C15H18N4O3/c1-16-8-9-3-4-10-12(7-9)18(2)15(22)19(10)11-5-6-13(20)17-14(11)21/h3-4,7,11,16H,5-6,8H2,1-2H3,(H,17,20,21)
InChIKeyMCFNJBHOWXLOTG-UHFFFAOYSA-N
XLogP0.04
TPSA85.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.04
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-(methylaminomethyl)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-methyl-5-(methylaminomethyl)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione (CID 155351243) is 3-[3-methyl-5-(methylaminomethyl)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-methyl-5-(methylaminomethyl)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-methyl-5-(methylaminomethyl)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione is CNCc1ccc2c(c1)n(C)c(=O)n2C1CCC(=O)NC1=O.
What is the InChIKey of 3-[3-methyl-5-(methylaminomethyl)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?
The InChIKey is MCFNJBHOWXLOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-16-8-9-3-4-10-12(7-9)18(2)15(22)19(10)11-5-6-13(20)17-14(11)21/h3-4,7,11,16H,5-6,8H2,1-2H3,(H,17,20,21).
What are the key properties of 3-[3-methyl-5-(methylaminomethyl)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?
3-[3-methyl-5-(methylaminomethyl)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione has a molecular weight of 302.33 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methyl-5-(methylaminomethyl)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 155351243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).