tert-butyl-[4-[ethoxy-(6-ethoxy-1H-benzimidazol-2-yl)methyl]phenoxy]-dimethylsilane

C24H34N2O3Si — CID 71294561

IUPACtert-butyl-[4-[ethoxy-(6-ethoxy-1H-benzimidazol-2-yl)methyl]phenoxy]-dimethylsilane
SMILESCCOc1ccc2nc(C(OCC)c3ccc(O[Si](C)(C)C(C)(C)C)cc3)[nH]c2c1
InChIInChI=1S/C24H34N2O3Si/c1-8-27-19-14-15-20-21(16-19)26-23(25-20)22(28-9-2)17-10-12-18(13-11-17)29-30(6,7)24(3,4)5/h10-16,22H,8-9H2,1-7H3,(H,25,26)
InChIKeyDTLGGUAYGRNKRT-UHFFFAOYSA-N
MW426.63 g/mol
LogP6.47
Rot. Bonds8

About tert-butyl-[4-[ethoxy-(6-ethoxy-1H-benzimidazol-2-yl)methyl]phenoxy]-dimethylsilane

tert-butyl-[4-[ethoxy-(6-ethoxy-1H-benzimidazol-2-yl)methyl]phenoxy]-dimethylsilane (PubChem CID 71294561) has the molecular formula C24H34N2O3Si and a molecular weight of 426.63 g/mol. Its IUPAC name is tert-butyl-[4-[ethoxy-(6-ethoxy-1H-benzimidazol-2-yl)methyl]phenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-[ethoxy-(6-ethoxy-1H-benzimidazol-2-yl)methyl]phenoxy]-dimethylsilane
PubChem CID71294561
Molecular FormulaC24H34N2O3Si
Molecular Weight426.63 g/mol
Exact Mass426.23
IUPAC Nametert-butyl-[4-[ethoxy-(6-ethoxy-1H-benzimidazol-2-yl)methyl]phenoxy]-dimethylsilane
SMILESCCOc1ccc2nc(C(OCC)c3ccc(O[Si](C)(C)C(C)(C)C)cc3)[nH]c2c1
InChIInChI=1S/C24H34N2O3Si/c1-8-27-19-14-15-20-21(16-19)26-23(25-20)22(28-9-2)17-10-12-18(13-11-17)29-30(6,7)24(3,4)5/h10-16,22H,8-9H2,1-7H3,(H,25,26)
InChIKeyDTLGGUAYGRNKRT-UHFFFAOYSA-N
XLogP6.47
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.63
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-ethoxy-2-[ethoxy-[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1H-benzimidazole
CID 70648166
2-(1-chloroethyl)-6-ethoxy-1H-benzimidazole
CID 82331877
2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-5,6-difluoro-1H-benzimidazole
CID 71294898
6-chloro-2-[[4-[(2,5-difluorophenyl)methoxy]phenyl]-ethoxymethyl]-1H-benzimidazole
CID 54673270
1-(6-ethoxy-1H-benzimidazol-2-yl)pentan-1-amine
CID 82331868
2-(3-bromo-2,2-dimethylpropyl)sulfanyl-6-ethoxy-1H-benzimidazole
CID 65000521
6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hydrochloride
CID 5344707
(2R,3S)-3-(6-ethoxy-1H-benzimidazol-2-yl)-2,3-dihydroxypropanoic acid
CID 3009995
2-[1-(6-ethoxy-1H-benzimidazol-2-yl)ethyl-ethylamino]ethanol
CID 82336047
6-ethoxy-2-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1H-benzimidazole
CID 89433744
2-[[4-[(2,5-difluorophenyl)methoxy]phenyl]-ethoxymethyl]-6-(iodomethyl)-1H-benzimidazole
CID 89436472
2-[[3-bromo-4-(trifluoromethoxy)phenyl]-ethoxymethyl]-6-fluoro-1H-benzimidazole
CID 70648773

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-[ethoxy-(6-ethoxy-1H-benzimidazol-2-yl)methyl]phenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[4-[ethoxy-(6-ethoxy-1H-benzimidazol-2-yl)methyl]phenoxy]-dimethylsilane (CID 71294561) is tert-butyl-[4-[ethoxy-(6-ethoxy-1H-benzimidazol-2-yl)methyl]phenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-[ethoxy-(6-ethoxy-1H-benzimidazol-2-yl)methyl]phenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[4-[ethoxy-(6-ethoxy-1H-benzimidazol-2-yl)methyl]phenoxy]-dimethylsilane is CCOc1ccc2nc(C(OCC)c3ccc(O[Si](C)(C)C(C)(C)C)cc3)[nH]c2c1.
What is the InChIKey of tert-butyl-[4-[ethoxy-(6-ethoxy-1H-benzimidazol-2-yl)methyl]phenoxy]-dimethylsilane?
The InChIKey is DTLGGUAYGRNKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3Si/c1-8-27-19-14-15-20-21(16-19)26-23(25-20)22(28-9-2)17-10-12-18(13-11-17)29-30(6,7)24(3,4)5/h10-16,22H,8-9H2,1-7H3,(H,25,26).
What are the key properties of tert-butyl-[4-[ethoxy-(6-ethoxy-1H-benzimidazol-2-yl)methyl]phenoxy]-dimethylsilane?
tert-butyl-[4-[ethoxy-(6-ethoxy-1H-benzimidazol-2-yl)methyl]phenoxy]-dimethylsilane has a molecular weight of 426.63 g/mol, XLogP of 6.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-[ethoxy-(6-ethoxy-1H-benzimidazol-2-yl)methyl]phenoxy]-dimethylsilane is sourced from PubChem (CID 71294561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).