3-[3-methyl-2-oxo-4-[2-(2-propoxyethoxy)ethoxy]benzimidazol-1-yl]piperidine-2,6-dione

C20H27N3O6 — CID 176968261

IUPAC3-[3-methyl-2-oxo-4-[2-(2-propoxyethoxy)ethoxy]benzimidazol-1-yl]piperidine-2,6-dione
SMILESCCCOCCOCCOc1cccc2c1n(C)c(=O)n2C1CCC(=O)NC1=O
InChIInChI=1S/C20H27N3O6/c1-3-9-27-10-11-28-12-13-29-16-6-4-5-14-18(16)22(2)20(26)23(14)15-7-8-17(24)21-19(15)25/h4-6,15H,3,7-13H2,1-2H3,(H,21,24,25)
InChIKeyUQNDGHPSGDXPEV-UHFFFAOYSA-N
MW405.45 g/mol
LogP1.14
Rot. Bonds10

About 3-[3-methyl-2-oxo-4-[2-(2-propoxyethoxy)ethoxy]benzimidazol-1-yl]piperidine-2,6-dione

3-[3-methyl-2-oxo-4-[2-(2-propoxyethoxy)ethoxy]benzimidazol-1-yl]piperidine-2,6-dione (PubChem CID 176968261) has the molecular formula C20H27N3O6 and a molecular weight of 405.45 g/mol. Its IUPAC name is 3-[3-methyl-2-oxo-4-[2-(2-propoxyethoxy)ethoxy]benzimidazol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-methyl-2-oxo-4-[2-(2-propoxyethoxy)ethoxy]benzimidazol-1-yl]piperidine-2,6-dione
PubChem CID176968261
Molecular FormulaC20H27N3O6
Molecular Weight405.45 g/mol
Exact Mass405.19
IUPAC Name3-[3-methyl-2-oxo-4-[2-(2-propoxyethoxy)ethoxy]benzimidazol-1-yl]piperidine-2,6-dione
SMILESCCCOCCOCCOc1cccc2c1n(C)c(=O)n2C1CCC(=O)NC1=O
InChIInChI=1S/C20H27N3O6/c1-3-9-27-10-11-28-12-13-29-16-6-4-5-14-18(16)22(2)20(26)23(14)15-7-8-17(24)21-19(15)25/h4-6,15H,3,7-13H2,1-2H3,(H,21,24,25)
InChIKeyUQNDGHPSGDXPEV-UHFFFAOYSA-N
XLogP1.14
TPSA100.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;ethane
CID 163400444
5-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]pentanal
CID 146599287
3-[3-methyl-2-oxo-4-(1-propylpiperidin-4-yl)benzimidazol-1-yl]piperidine-2,6-dione
CID 175084296
3-[4-(3-hydroperoxypropyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 175172491
3-[3-oxo-7-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155673284
(3S)-3-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 166733310
3-[3-methyl-4-(2-methylpropyl)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 166800461
tert-butyl 2-[2-[2-[2-[3-[1-[(3S)-2,6-dioxopiperidin-3-yl]-3-methyl-2-oxobenzimidazol-4-yl]propoxy]ethoxy]ethoxy]ethoxy]acetate
CID 166801083
3-[4-(3-bromoprop-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 176695597
3-(3-methyl-2-oxo-4-prop-1-en-2-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 164567593
tert-butyl N-[2-[2-[2-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]ethoxy]ethoxy]ethyl]carbamate
CID 138695774
3-[3-methyl-2-oxo-4-(piperidin-4-ylmethyl)benzimidazol-1-yl]piperidine-2,6-dione
CID 146599691

Frequently Asked Questions

What is the IUPAC name of 3-[3-methyl-2-oxo-4-[2-(2-propoxyethoxy)ethoxy]benzimidazol-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-methyl-2-oxo-4-[2-(2-propoxyethoxy)ethoxy]benzimidazol-1-yl]piperidine-2,6-dione (CID 176968261) is 3-[3-methyl-2-oxo-4-[2-(2-propoxyethoxy)ethoxy]benzimidazol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-methyl-2-oxo-4-[2-(2-propoxyethoxy)ethoxy]benzimidazol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-methyl-2-oxo-4-[2-(2-propoxyethoxy)ethoxy]benzimidazol-1-yl]piperidine-2,6-dione is CCCOCCOCCOc1cccc2c1n(C)c(=O)n2C1CCC(=O)NC1=O.
What is the InChIKey of 3-[3-methyl-2-oxo-4-[2-(2-propoxyethoxy)ethoxy]benzimidazol-1-yl]piperidine-2,6-dione?
The InChIKey is UQNDGHPSGDXPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O6/c1-3-9-27-10-11-28-12-13-29-16-6-4-5-14-18(16)22(2)20(26)23(14)15-7-8-17(24)21-19(15)25/h4-6,15H,3,7-13H2,1-2H3,(H,21,24,25).
What are the key properties of 3-[3-methyl-2-oxo-4-[2-(2-propoxyethoxy)ethoxy]benzimidazol-1-yl]piperidine-2,6-dione?
3-[3-methyl-2-oxo-4-[2-(2-propoxyethoxy)ethoxy]benzimidazol-1-yl]piperidine-2,6-dione has a molecular weight of 405.45 g/mol, XLogP of 1.14, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methyl-2-oxo-4-[2-(2-propoxyethoxy)ethoxy]benzimidazol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 176968261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).