2-[1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]isoindole-1,3-dione

C23H27N3O3Si — CID 175566095

IUPAC2-[1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]isoindole-1,3-dione
SMILESCC(c1ccc2c(c1)ncn2COCC[Si](C)(C)C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H27N3O3Si/c1-16(26-22(27)18-7-5-6-8-19(18)23(26)28)17-9-10-21-20(13-17)24-14-25(21)15-29-11-12-30(2,3)4/h5-10,13-14,16H,11-12,15H2,1-4H3
InChIKeyVQDIEMBIXYIGIZ-UHFFFAOYSA-N
MW421.57 g/mol
LogP4.71
Rot. Bonds7

About 2-[1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]isoindole-1,3-dione

2-[1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]isoindole-1,3-dione (PubChem CID 175566095) has the molecular formula C23H27N3O3Si and a molecular weight of 421.57 g/mol. Its IUPAC name is 2-[1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]isoindole-1,3-dione
PubChem CID175566095
Molecular FormulaC23H27N3O3Si
Molecular Weight421.57 g/mol
Exact Mass421.18
IUPAC Name2-[1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]isoindole-1,3-dione
SMILESCC(c1ccc2c(c1)ncn2COCC[Si](C)(C)C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H27N3O3Si/c1-16(26-22(27)18-7-5-6-8-19(18)23(26)28)17-9-10-21-20(13-17)24-14-25(21)15-29-11-12-30(2,3)4/h5-10,13-14,16H,11-12,15H2,1-4H3
InChIKeyVQDIEMBIXYIGIZ-UHFFFAOYSA-N
XLogP4.71
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-cyclopropyloxy-1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]isoindole-1,3-dione
CID 175565972
4,4,4-trifluoro-N-[1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]butanamide
CID 175873640
methyl 1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 140802943
(4S)-5-methoxy-2-methyl-4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]pentane-2-sulfinamide
CID 177107936
2-[(5,6-dimethoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 67292375
(S)-N-[cyclopropyl-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]methyl]-2-methylpropane-2-sulfinamide
CID 171777693
(S)-N-[(1R)-1-[5-[(1R)-1-(1,3-dioxoisoindol-2-yl)ethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-4,4,4-trifluoro-3,3-dimethylbutyl]-2-methylpropane-2-sulfinamide
CID 171777679
2-[(6-bromo-5-methoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 172631194
2-[(5,6-dichlorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 58860919
trimethyl-[2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-yl]methoxy]ethyl]silane
CID 58137222
2-[(6-fluorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 141393470
methyl 6-amino-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 169304257

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]isoindole-1,3-dione (CID 175566095) is 2-[1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]isoindole-1,3-dione is CC(c1ccc2c(c1)ncn2COCC[Si](C)(C)C)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]isoindole-1,3-dione?
The InChIKey is VQDIEMBIXYIGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3Si/c1-16(26-22(27)18-7-5-6-8-19(18)23(26)28)17-9-10-21-20(13-17)24-14-25(21)15-29-11-12-30(2,3)4/h5-10,13-14,16H,11-12,15H2,1-4H3.
What are the key properties of 2-[1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]isoindole-1,3-dione?
2-[1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]isoindole-1,3-dione has a molecular weight of 421.57 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 175566095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).