3-(benzimidazol-1-yl)propyl-diethoxy-phenylsilane

C20H26N2O2Si — CID 59630445

IUPAC3-(benzimidazol-1-yl)propyl-diethoxy-phenylsilane
SMILESCCO[Si](CCCn1cnc2ccccc21)(OCC)c1ccccc1
InChIInChI=1S/C20H26N2O2Si/c1-3-23-25(24-4-2,18-11-6-5-7-12-18)16-10-15-22-17-21-19-13-8-9-14-20(19)22/h5-9,11-14,17H,3-4,10,15-16H2,1-2H3
InChIKeyBERZIUIXSGYZJT-UHFFFAOYSA-N
MW354.53 g/mol
LogP3.85
Rot. Bonds9

About 3-(benzimidazol-1-yl)propyl-diethoxy-phenylsilane

3-(benzimidazol-1-yl)propyl-diethoxy-phenylsilane (PubChem CID 59630445) has the molecular formula C20H26N2O2Si and a molecular weight of 354.53 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)propyl-diethoxy-phenylsilane.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)propyl-diethoxy-phenylsilane
PubChem CID59630445
Molecular FormulaC20H26N2O2Si
Molecular Weight354.53 g/mol
Exact Mass354.18
IUPAC Name3-(benzimidazol-1-yl)propyl-diethoxy-phenylsilane
SMILESCCO[Si](CCCn1cnc2ccccc21)(OCC)c1ccccc1
InChIInChI=1S/C20H26N2O2Si/c1-3-23-25(24-4-2,18-11-6-5-7-12-18)16-10-15-22-17-21-19-13-8-9-14-20(19)22/h5-9,11-14,17H,3-4,10,15-16H2,1-2H3
InChIKeyBERZIUIXSGYZJT-UHFFFAOYSA-N
XLogP3.85
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.53
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(1-butylbenzimidazole);ethane
CID 142164287
3-(benzimidazol-1-yl)propyl-trichlorosilane
CID 59630441
1-(3-ethylsulfanylpropyl)benzimidazole
CID 115650886
1-(6-chlorohexyl)benzimidazole
CID 62228178
1-[3-[3-(benzimidazol-1-yl)propyldisulfanyl]propyl]benzimidazole
CID 159358672
1-(18-phenyloctadecyl)benzimidazole
CID 67925718
1-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]benzimidazole
CID 5190432
3-[diethoxy(phenyl)silyl]propane-1-thiol
CID 23341373
1-[4-(4-ethylphenoxy)butyl]benzimidazole
CID 16994975
1-[4-(2-methoxyphenoxy)butyl]benzimidazole
CID 16994969
1-[2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl]benzimidazole
CID 2871878
N-[3-(benzimidazol-1-yl)propyl]-4-ethoxybenzamide
CID 17499528

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)propyl-diethoxy-phenylsilane?
The IUPAC name of 3-(benzimidazol-1-yl)propyl-diethoxy-phenylsilane (CID 59630445) is 3-(benzimidazol-1-yl)propyl-diethoxy-phenylsilane.
What is the SMILES notation for 3-(benzimidazol-1-yl)propyl-diethoxy-phenylsilane?
The canonical SMILES for 3-(benzimidazol-1-yl)propyl-diethoxy-phenylsilane is CCO[Si](CCCn1cnc2ccccc21)(OCC)c1ccccc1.
What is the InChIKey of 3-(benzimidazol-1-yl)propyl-diethoxy-phenylsilane?
The InChIKey is BERZIUIXSGYZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2Si/c1-3-23-25(24-4-2,18-11-6-5-7-12-18)16-10-15-22-17-21-19-13-8-9-14-20(19)22/h5-9,11-14,17H,3-4,10,15-16H2,1-2H3.
What are the key properties of 3-(benzimidazol-1-yl)propyl-diethoxy-phenylsilane?
3-(benzimidazol-1-yl)propyl-diethoxy-phenylsilane has a molecular weight of 354.53 g/mol, XLogP of 3.85, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)propyl-diethoxy-phenylsilane is sourced from PubChem (CID 59630445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).