1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzimidazole-2-carbaldehyde

C16H24N2O2Si — CID 15072145

IUPAC1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzimidazole-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OCCn1c(C=O)nc2ccccc21
InChIInChI=1S/C16H24N2O2Si/c1-16(2,3)21(4,5)20-11-10-18-14-9-7-6-8-13(14)17-15(18)12-19/h6-9,12H,10-11H2,1-5H3
InChIKeyDNSBTXUOTMHTCU-UHFFFAOYSA-N
MW304.47 g/mol
LogP3.87
Rot. Bonds5

About 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzimidazole-2-carbaldehyde

1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzimidazole-2-carbaldehyde (PubChem CID 15072145) has the molecular formula C16H24N2O2Si and a molecular weight of 304.47 g/mol. Its IUPAC name is 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzimidazole-2-carbaldehyde.

Molecular Properties

Compound Name1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzimidazole-2-carbaldehyde
PubChem CID15072145
Molecular FormulaC16H24N2O2Si
Molecular Weight304.47 g/mol
Exact Mass304.16
IUPAC Name1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzimidazole-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OCCn1c(C=O)nc2ccccc21
InChIInChI=1S/C16H24N2O2Si/c1-16(2,3)21(4,5)20-11-10-18-14-9-7-6-8-13(14)17-15(18)12-19/h6-9,12H,10-11H2,1-5H3
InChIKeyDNSBTXUOTMHTCU-UHFFFAOYSA-N
XLogP3.87
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazole-2-carbaldehyde
CID 17010575
1-[3-(3,5-dimethylphenoxy)propyl]benzimidazole-2-carbaldehyde
CID 17010563
ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indole-2-carboxylate
CID 71206188
[(Z)-4-bromo-3-(2-methylbenzimidazol-1-yl)but-3-enoxy]-tert-butyl-dimethylsilane
CID 46177107
2-[2-(benzylamino)benzimidazol-1-yl]-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]acetamide
CID 140825038
1-[(2-fluorophenyl)methyl]benzimidazole-2-carbaldehyde
CID 53262927
[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzimidazol-2-yl]-[5-(1,3-dioxol-2-yl)-2-methylthiophen-3-yl]methanol
CID 141485363
2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzaldehyde
CID 13305849
1-[2-(4-methoxyphenoxy)ethyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 16999685
2-[(E)-2-(furan-2-yl)ethenyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
CID 16999920
4-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylbutan-2-amine
CID 62389880
2-[(E)-2-(furan-2-yl)ethenyl]-1-(3-methylbutyl)benzimidazole
CID 7574428

Frequently Asked Questions

What is the IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzimidazole-2-carbaldehyde?
The IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzimidazole-2-carbaldehyde (CID 15072145) is 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzimidazole-2-carbaldehyde.
What is the SMILES notation for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzimidazole-2-carbaldehyde?
The canonical SMILES for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzimidazole-2-carbaldehyde is CC(C)(C)[Si](C)(C)OCCn1c(C=O)nc2ccccc21.
What is the InChIKey of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzimidazole-2-carbaldehyde?
The InChIKey is DNSBTXUOTMHTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2Si/c1-16(2,3)21(4,5)20-11-10-18-14-9-7-6-8-13(14)17-15(18)12-19/h6-9,12H,10-11H2,1-5H3.
What are the key properties of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzimidazole-2-carbaldehyde?
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzimidazole-2-carbaldehyde has a molecular weight of 304.47 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzimidazole-2-carbaldehyde is sourced from PubChem (CID 15072145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).