3-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione

C20H29N3O4Si — CID 150528335

IUPAC3-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
SMILESCC(C)(C)[Si](C)(C)OCCn1c(=O)n(C2CCC(=O)NC2=O)c2ccccc21
InChIInChI=1S/C20H29N3O4Si/c1-20(2,3)28(4,5)27-13-12-22-14-8-6-7-9-15(14)23(19(22)26)16-10-11-17(24)21-18(16)25/h6-9,16H,10-13H2,1-5H3,(H,21,24,25)
InChIKeyIDHQNWDKQQXCOP-UHFFFAOYSA-N
MW403.56 g/mol
LogP2.80
Rot. Bonds5

About 3-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione

3-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione (PubChem CID 150528335) has the molecular formula C20H29N3O4Si and a molecular weight of 403.56 g/mol. Its IUPAC name is 3-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
PubChem CID150528335
Molecular FormulaC20H29N3O4Si
Molecular Weight403.56 g/mol
Exact Mass403.19
IUPAC Name3-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
SMILESCC(C)(C)[Si](C)(C)OCCn1c(=O)n(C2CCC(=O)NC2=O)c2ccccc21
InChIInChI=1S/C20H29N3O4Si/c1-20(2,3)28(4,5)27-13-12-22-14-8-6-7-9-15(14)23(19(22)26)16-10-11-17(24)21-18(16)25/h6-9,16H,10-13H2,1-5H3,(H,21,24,25)
InChIKeyIDHQNWDKQQXCOP-UHFFFAOYSA-N
XLogP2.80
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.56
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 166733310
10-[3-(2,6-dioxopiperidin-3-yl)-2-oxobenzimidazol-1-yl]decanoic acid
CID 167386252
3-(2-oxo-3-prop-2-ynylbenzimidazol-1-yl)piperidine-2,6-dione
CID 162422025
3-(3-cyclopropyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 138496531
3-[4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione
CID 151743530
3-[3-(difluoromethyl)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;ethane
CID 171641902
3-(3,4-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;ethane
CID 163400444
3-(3,7-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 156836715
3-[4-[(1-tert-butylpiperidin-4-yl)oxymethyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 175985107
3-[4-(3-hydroperoxypropyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 175172491
3-[5-[(E)-2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]ethenyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 156858879
tert-butyl 8-[3-(2,7-dioxoazepan-3-yl)-2-oxoimidazo[4,5-b]pyridin-1-yl]octanoate
CID 171843936

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione (CID 150528335) is 3-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione is CC(C)(C)[Si](C)(C)OCCn1c(=O)n(C2CCC(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?
The InChIKey is IDHQNWDKQQXCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4Si/c1-20(2,3)28(4,5)27-13-12-22-14-8-6-7-9-15(14)23(19(22)26)16-10-11-17(24)21-18(16)25/h6-9,16H,10-13H2,1-5H3,(H,21,24,25).
What are the key properties of 3-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?
3-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione has a molecular weight of 403.56 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 150528335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).