3-(3,4-dimethyl-2-oxobenzimidazol-1-yl)-1-methylpiperidine-2,6-dione

C15H17N3O3 — CID 171554865

IUPAC3-(3,4-dimethyl-2-oxobenzimidazol-1-yl)-1-methylpiperidine-2,6-dione
SMILESCc1cccc2c1n(C)c(=O)n2C1CCC(=O)N(C)C1=O
InChIInChI=1S/C15H17N3O3/c1-9-5-4-6-10-13(9)17(3)15(21)18(10)11-7-8-12(19)16(2)14(11)20/h4-6,11H,7-8H2,1-3H3
InChIKeyBNHCPGFDQLHIAE-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.97
Rot. Bonds1

About 3-(3,4-dimethyl-2-oxobenzimidazol-1-yl)-1-methylpiperidine-2,6-dione

3-(3,4-dimethyl-2-oxobenzimidazol-1-yl)-1-methylpiperidine-2,6-dione (PubChem CID 171554865) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-(3,4-dimethyl-2-oxobenzimidazol-1-yl)-1-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-(3,4-dimethyl-2-oxobenzimidazol-1-yl)-1-methylpiperidine-2,6-dione
PubChem CID171554865
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name3-(3,4-dimethyl-2-oxobenzimidazol-1-yl)-1-methylpiperidine-2,6-dione
SMILESCc1cccc2c1n(C)c(=O)n2C1CCC(=O)N(C)C1=O
InChIInChI=1S/C15H17N3O3/c1-9-5-4-6-10-13(9)17(3)15(21)18(10)11-7-8-12(19)16(2)14(11)20/h4-6,11H,7-8H2,1-3H3
InChIKeyBNHCPGFDQLHIAE-UHFFFAOYSA-N
XLogP0.97
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-(3-methyl-2-oxo-4-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 171554814
1-methyl-3-(3-methyl-2-oxo-4-piperazin-1-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 164567416
3-(3,4-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;ethane
CID 163400444
1-methyl-3-[3-methyl-2-oxo-4-[1-(piperidin-4-ylmethyl)piperidin-4-yl]benzimidazol-1-yl]piperidine-2,6-dione
CID 170320387
1-methyl-3-[3-methyl-2-oxo-4-(3-piperidin-4-yloxypropyl)benzimidazol-1-yl]piperidine-2,6-dione
CID 146599446
tert-butyl N-methyl-N-[1-[3-methyl-1-(1-methyl-2,6-dioxopiperidin-3-yl)-2-oxobenzimidazol-4-yl]piperidin-4-yl]carbamate
CID 155437928
3-(3,7-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 156836715
4-methyl-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 142650795
3-(3-methyl-2-oxo-4-prop-1-en-2-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 164567593
3-[4-(3-bromoprop-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 176695597
3-[3-methyl-4-(2-methylpropyl)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 166800461
3-[5-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-1-methylpiperidine-2,6-dione
CID 134392800

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethyl-2-oxobenzimidazol-1-yl)-1-methylpiperidine-2,6-dione?
The IUPAC name of 3-(3,4-dimethyl-2-oxobenzimidazol-1-yl)-1-methylpiperidine-2,6-dione (CID 171554865) is 3-(3,4-dimethyl-2-oxobenzimidazol-1-yl)-1-methylpiperidine-2,6-dione.
What is the SMILES notation for 3-(3,4-dimethyl-2-oxobenzimidazol-1-yl)-1-methylpiperidine-2,6-dione?
The canonical SMILES for 3-(3,4-dimethyl-2-oxobenzimidazol-1-yl)-1-methylpiperidine-2,6-dione is Cc1cccc2c1n(C)c(=O)n2C1CCC(=O)N(C)C1=O.
What is the InChIKey of 3-(3,4-dimethyl-2-oxobenzimidazol-1-yl)-1-methylpiperidine-2,6-dione?
The InChIKey is BNHCPGFDQLHIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9-5-4-6-10-13(9)17(3)15(21)18(10)11-7-8-12(19)16(2)14(11)20/h4-6,11H,7-8H2,1-3H3.
What are the key properties of 3-(3,4-dimethyl-2-oxobenzimidazol-1-yl)-1-methylpiperidine-2,6-dione?
3-(3,4-dimethyl-2-oxobenzimidazol-1-yl)-1-methylpiperidine-2,6-dione has a molecular weight of 287.32 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethyl-2-oxobenzimidazol-1-yl)-1-methylpiperidine-2,6-dione is sourced from PubChem (CID 171554865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).