[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzimidazol-2-yl]-[5-(1,3-dioxol-2-yl)-2-methylthiophen-3-yl]methanol

C24H32N2O4SSi — CID 141485363

IUPAC[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzimidazol-2-yl]-[5-(1,3-dioxol-2-yl)-2-methylthiophen-3-yl]methanol
SMILESCc1sc(C2OC=CO2)cc1C(O)c1nc2ccccc2n1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H32N2O4SSi/c1-16-17(15-20(31-16)23-28-13-14-29-23)21(27)22-25-18-9-7-8-10-19(18)26(22)11-12-30-32(5,6)24(2,3)4/h7-10,13-15,21,23,27H,11-12H2,1-6H3
InChIKeyXSDXCWNASRDREB-UHFFFAOYSA-N
MW472.68 g/mol
LogP6.03
Rot. Bonds7

About [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzimidazol-2-yl]-[5-(1,3-dioxol-2-yl)-2-methylthiophen-3-yl]methanol

[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzimidazol-2-yl]-[5-(1,3-dioxol-2-yl)-2-methylthiophen-3-yl]methanol (PubChem CID 141485363) has the molecular formula C24H32N2O4SSi and a molecular weight of 472.68 g/mol. Its IUPAC name is [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzimidazol-2-yl]-[5-(1,3-dioxol-2-yl)-2-methylthiophen-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzimidazol-2-yl]-[5-(1,3-dioxol-2-yl)-2-methylthiophen-3-yl]methanol
PubChem CID141485363
Molecular FormulaC24H32N2O4SSi
Molecular Weight472.68 g/mol
Exact Mass472.19
IUPAC Name[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzimidazol-2-yl]-[5-(1,3-dioxol-2-yl)-2-methylthiophen-3-yl]methanol
SMILESCc1sc(C2OC=CO2)cc1C(O)c1nc2ccccc2n1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H32N2O4SSi/c1-16-17(15-20(31-16)23-28-13-14-29-23)21(27)22-25-18-9-7-8-10-19(18)26(22)11-12-30-32(5,6)24(2,3)4/h7-10,13-15,21,23,27H,11-12H2,1-6H3
InChIKeyXSDXCWNASRDREB-UHFFFAOYSA-N
XLogP6.03
TPSA65.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.68
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzimidazole-2-carbaldehyde
CID 15072145
(2-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol
CID 3786297
(R)-[1-(2-methoxyethyl)benzimidazol-2-yl]-phenylmethanol
CID 40699008
1-[1-[2-[2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethoxy]ethyl]benzimidazol-2-yl]ethanol
CID 58049613
(S)-[1-(2-ethoxyethyl)benzimidazol-2-yl]-phenylmethanol
CID 6998450
1-[1-[2-[2-[2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethoxy]ethoxy]ethyl]benzimidazol-2-yl]ethanol
CID 66663003
(R)-(4-methylphenyl)-(1-propylbenzimidazol-2-yl)methanol
CID 762129
ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indole-2-carboxylate
CID 71206188
[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]-phenylmethanol
CID 16995174
[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]-phenylmethanol
CID 16995122
(R)-(4-propan-2-ylphenyl)-(1-propylbenzimidazol-2-yl)methanol
CID 738052
2-amino-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethanol
CID 66167951

Frequently Asked Questions

What is the IUPAC name of [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzimidazol-2-yl]-[5-(1,3-dioxol-2-yl)-2-methylthiophen-3-yl]methanol?
The IUPAC name of [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzimidazol-2-yl]-[5-(1,3-dioxol-2-yl)-2-methylthiophen-3-yl]methanol (CID 141485363) is [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzimidazol-2-yl]-[5-(1,3-dioxol-2-yl)-2-methylthiophen-3-yl]methanol.
What is the SMILES notation for [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzimidazol-2-yl]-[5-(1,3-dioxol-2-yl)-2-methylthiophen-3-yl]methanol?
The canonical SMILES for [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzimidazol-2-yl]-[5-(1,3-dioxol-2-yl)-2-methylthiophen-3-yl]methanol is Cc1sc(C2OC=CO2)cc1C(O)c1nc2ccccc2n1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzimidazol-2-yl]-[5-(1,3-dioxol-2-yl)-2-methylthiophen-3-yl]methanol?
The InChIKey is XSDXCWNASRDREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4SSi/c1-16-17(15-20(31-16)23-28-13-14-29-23)21(27)22-25-18-9-7-8-10-19(18)26(22)11-12-30-32(5,6)24(2,3)4/h7-10,13-15,21,23,27H,11-12H2,1-6H3.
What are the key properties of [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzimidazol-2-yl]-[5-(1,3-dioxol-2-yl)-2-methylthiophen-3-yl]methanol?
[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzimidazol-2-yl]-[5-(1,3-dioxol-2-yl)-2-methylthiophen-3-yl]methanol has a molecular weight of 472.68 g/mol, XLogP of 6.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzimidazol-2-yl]-[5-(1,3-dioxol-2-yl)-2-methylthiophen-3-yl]methanol is sourced from PubChem (CID 141485363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).