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

C26H31N3O4Si — CID 175565972

IUPAC2-[2-cyclopropyloxy-1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]isoindole-1,3-dione
SMILESC[Si](C)(C)CCOCn1cnc2cc(C(COC3CC3)N3C(=O)c4ccccc4C3=O)ccc21
InChIInChI=1S/C26H31N3O4Si/c1-34(2,3)13-12-32-17-28-16-27-22-14-18(8-11-23(22)28)24(15-33-19-9-10-19)29-25(30)20-6-4-5-7-21(20)26(29)31/h4-8,11,14,16,19,24H,9-10,12-13,15,17H2,1-3H3
InChIKeyPCVZLKRCMZPUPY-UHFFFAOYSA-N
MW477.64 g/mol
LogP4.86
Rot. Bonds10

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

2-[2-cyclopropyloxy-1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]isoindole-1,3-dione (PubChem CID 175565972) has the molecular formula C26H31N3O4Si and a molecular weight of 477.64 g/mol. Its IUPAC name is 2-[2-cyclopropyloxy-1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-cyclopropyloxy-1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]isoindole-1,3-dione
PubChem CID175565972
Molecular FormulaC26H31N3O4Si
Molecular Weight477.64 g/mol
Exact Mass477.21
IUPAC Name2-[2-cyclopropyloxy-1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]isoindole-1,3-dione
SMILESC[Si](C)(C)CCOCn1cnc2cc(C(COC3CC3)N3C(=O)c4ccccc4C3=O)ccc21
InChIInChI=1S/C26H31N3O4Si/c1-34(2,3)13-12-32-17-28-16-27-22-14-18(8-11-23(22)28)24(15-33-19-9-10-19)29-25(30)20-6-4-5-7-21(20)26(29)31/h4-8,11,14,16,19,24H,9-10,12-13,15,17H2,1-3H3
InChIKeyPCVZLKRCMZPUPY-UHFFFAOYSA-N
XLogP4.86
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.64
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]isoindole-1,3-dione
CID 175566095
3-[(1S)-2-cyclopropyloxy-1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]-2,4,6-trimethylbenzenesulfinamide
CID 172509132
(S)-N-[cyclopropyl-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]methyl]-2-methylpropane-2-sulfinamide
CID 171777693
(4S)-5-methoxy-2-methyl-4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]pentane-2-sulfinamide
CID 177107936
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
methyl 6-[3-(cyclopropylamino)-2-methoxycarbonylphenyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 174079077
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-[(5,6-dimethoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 67292375
4-(4-iodophenyl)-1,3-dimethyl-5-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 167407704
4-(4-bromo-2,6-difluorophenyl)-3-cyclopropyl-1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]azetidin-2-one
CID 168817649

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclopropyloxy-1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-cyclopropyloxy-1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]isoindole-1,3-dione (CID 175565972) is 2-[2-cyclopropyloxy-1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-cyclopropyloxy-1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-cyclopropyloxy-1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]isoindole-1,3-dione is C[Si](C)(C)CCOCn1cnc2cc(C(COC3CC3)N3C(=O)c4ccccc4C3=O)ccc21.
What is the InChIKey of 2-[2-cyclopropyloxy-1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]isoindole-1,3-dione?
The InChIKey is PCVZLKRCMZPUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4Si/c1-34(2,3)13-12-32-17-28-16-27-22-14-18(8-11-23(22)28)24(15-33-19-9-10-19)29-25(30)20-6-4-5-7-21(20)26(29)31/h4-8,11,14,16,19,24H,9-10,12-13,15,17H2,1-3H3.
What are the key properties of 2-[2-cyclopropyloxy-1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]isoindole-1,3-dione?
2-[2-cyclopropyloxy-1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]isoindole-1,3-dione has a molecular weight of 477.64 g/mol, XLogP of 4.86, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclopropyloxy-1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 175565972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).