1-methyl-3-(3-methyl-2-oxo-4-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione

C17H21N3O3 — CID 171554814

IUPAC1-methyl-3-(3-methyl-2-oxo-4-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione
SMILESCC(C)c1cccc2c1n(C)c(=O)n2C1CCC(=O)N(C)C1=O
InChIInChI=1S/C17H21N3O3/c1-10(2)11-6-5-7-12-15(11)19(4)17(23)20(12)13-8-9-14(21)18(3)16(13)22/h5-7,10,13H,8-9H2,1-4H3
InChIKeyDSYYEHJXOGKWTI-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.78
Rot. Bonds2

About 1-methyl-3-(3-methyl-2-oxo-4-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione

1-methyl-3-(3-methyl-2-oxo-4-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione (PubChem CID 171554814) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-methyl-3-(3-methyl-2-oxo-4-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name1-methyl-3-(3-methyl-2-oxo-4-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione
PubChem CID171554814
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name1-methyl-3-(3-methyl-2-oxo-4-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione
SMILESCC(C)c1cccc2c1n(C)c(=O)n2C1CCC(=O)N(C)C1=O
InChIInChI=1S/C17H21N3O3/c1-10(2)11-6-5-7-12-15(11)19(4)17(23)20(12)13-8-9-14(21)18(3)16(13)22/h5-7,10,13H,8-9H2,1-4H3
InChIKeyDSYYEHJXOGKWTI-UHFFFAOYSA-N
XLogP1.78
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.78
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

3-(3,4-dimethyl-2-oxobenzimidazol-1-yl)-1-methylpiperidine-2,6-dione
CID 171554865
1-methyl-3-(3-methyl-2-oxo-4-piperazin-1-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 164567416
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
2-(1-methyl-2,6-dioxopiperidin-3-yl)-4-propan-2-ylisoindole-1,3-dione
CID 170640142
3-[3-methyl-4-(2-methylpropyl)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 166800461
3-(3,4-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;ethane
CID 163400444
3-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-1-methylpiperidine-2,6-dione
CID 79272845
2-(1-methyl-2,6-dioxopiperidin-3-yl)-4-(propan-2-ylamino)isoindole-1,3-dione
CID 162432126
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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-methyl-2-oxo-4-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione?
The IUPAC name of 1-methyl-3-(3-methyl-2-oxo-4-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione (CID 171554814) is 1-methyl-3-(3-methyl-2-oxo-4-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 1-methyl-3-(3-methyl-2-oxo-4-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione?
The canonical SMILES for 1-methyl-3-(3-methyl-2-oxo-4-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione is CC(C)c1cccc2c1n(C)c(=O)n2C1CCC(=O)N(C)C1=O.
What is the InChIKey of 1-methyl-3-(3-methyl-2-oxo-4-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione?
The InChIKey is DSYYEHJXOGKWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-10(2)11-6-5-7-12-15(11)19(4)17(23)20(12)13-8-9-14(21)18(3)16(13)22/h5-7,10,13H,8-9H2,1-4H3.
What are the key properties of 1-methyl-3-(3-methyl-2-oxo-4-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione?
1-methyl-3-(3-methyl-2-oxo-4-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione has a molecular weight of 315.37 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-methyl-2-oxo-4-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 171554814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).