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

C15H18N4O3 — CID 138496427

IUPAC3-[5-(dimethylamino)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
SMILESCN(C)c1ccc2c(c1)n(C)c(=O)n2C1CCC(=O)NC1=O
InChIInChI=1S/C15H18N4O3/c1-17(2)9-4-5-10-12(8-9)18(3)15(22)19(10)11-6-7-13(20)16-14(11)21/h4-5,8,11H,6-7H2,1-3H3,(H,16,20,21)
InChIKeyRSLDNRYCLWJVDW-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.38
Rot. Bonds2

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

3-[5-(dimethylamino)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione (PubChem CID 138496427) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-[5-(dimethylamino)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-(dimethylamino)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
PubChem CID138496427
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name3-[5-(dimethylamino)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
SMILESCN(C)c1ccc2c(c1)n(C)c(=O)n2C1CCC(=O)NC1=O
InChIInChI=1S/C15H18N4O3/c1-17(2)9-4-5-10-12(8-9)18(3)15(22)19(10)11-6-7-13(20)16-14(11)21/h4-5,8,11H,6-7H2,1-3H3,(H,16,20,21)
InChIKeyRSLDNRYCLWJVDW-UHFFFAOYSA-N
XLogP0.38
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.38
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 3-[5-(dimethylamino)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[5-(dimethylamino)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione (CID 138496427) is 3-[5-(dimethylamino)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-(dimethylamino)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-(dimethylamino)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione is CN(C)c1ccc2c(c1)n(C)c(=O)n2C1CCC(=O)NC1=O.
What is the InChIKey of 3-[5-(dimethylamino)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?
The InChIKey is RSLDNRYCLWJVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-17(2)9-4-5-10-12(8-9)18(3)15(22)19(10)11-6-7-13(20)16-14(11)21/h4-5,8,11H,6-7H2,1-3H3,(H,16,20,21).
What are the key properties of 3-[5-(dimethylamino)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?
3-[5-(dimethylamino)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione has a molecular weight of 302.33 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(dimethylamino)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 138496427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).