triethoxy-[4-[[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]methyl]phenyl]silane

C25H36N2O3Si — CID 91024187

IUPACtriethoxy-[4-[[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]methyl]phenyl]silane
SMILESCCO[Si](OCC)(OCC)c1ccc(CN2C=CN(c3c(C)cc(C)cc3C)C2)cc1
InChIInChI=1S/C25H36N2O3Si/c1-7-28-31(29-8-2,30-9-3)24-12-10-23(11-13-24)18-26-14-15-27(19-26)25-21(5)16-20(4)17-22(25)6/h10-17H,7-9,18-19H2,1-6H3
InChIKeyAFORBXPZGZKYKW-UHFFFAOYSA-N
MW440.66 g/mol
LogP4.62
Rot. Bonds10

About triethoxy-[4-[[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]methyl]phenyl]silane

triethoxy-[4-[[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]methyl]phenyl]silane (PubChem CID 91024187) has the molecular formula C25H36N2O3Si and a molecular weight of 440.66 g/mol. Its IUPAC name is triethoxy-[4-[[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]methyl]phenyl]silane.

Molecular Properties

Compound Nametriethoxy-[4-[[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]methyl]phenyl]silane
PubChem CID91024187
Molecular FormulaC25H36N2O3Si
Molecular Weight440.66 g/mol
Exact Mass440.25
IUPAC Nametriethoxy-[4-[[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]methyl]phenyl]silane
SMILESCCO[Si](OCC)(OCC)c1ccc(CN2C=CN(c3c(C)cc(C)cc3C)C2)cc1
InChIInChI=1S/C25H36N2O3Si/c1-7-28-31(29-8-2,30-9-3)24-12-10-23(11-13-24)18-26-14-15-27(19-26)25-21(5)16-20(4)17-22(25)6/h10-17H,7-9,18-19H2,1-6H3
InChIKeyAFORBXPZGZKYKW-UHFFFAOYSA-N
XLogP4.62
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.66
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-octyl-3-(2,4,6-trimethylphenyl)-2H-imidazole;hydrobromide
CID 173052661
3-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]propan-1-ol
CID 5255189
triethoxy-[4-[[3-(2,4,6-trimethylphenyl)imidazol-1-ium-1-yl]methyl]phenyl]silane;trifluoromethanesulfonate
CID 87836467
silver;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole;chlorogold;hexafluoroantimony(1-)
CID 18503829
trihydroxy-[4-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]silane
CID 58330288
ethane;triethoxy(phenyl)silane
CID 174836592
triethoxy-[4-(4-phenylphenyl)phenyl]silane
CID 59687607
triethoxy-(4-fluoro-3,5-dimethylphenyl)silane
CID 146004982
1-benzyl-3-[3-(3-benzyl-2H-imidazol-1-yl)phenyl]-2H-imidazole;dihydrobromide
CID 175897383
2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]ethyl morpholine-4-carboxylate
CID 166009273
bis(2,3-dihydro-1-benzofuran-7-yl)-[[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]methyl]phosphane
CID 121442163
triethoxy-(4-fluoro-3-methoxyphenyl)silane
CID 146005006

Frequently Asked Questions

What is the IUPAC name of triethoxy-[4-[[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]methyl]phenyl]silane?
The IUPAC name of triethoxy-[4-[[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]methyl]phenyl]silane (CID 91024187) is triethoxy-[4-[[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]methyl]phenyl]silane.
What is the SMILES notation for triethoxy-[4-[[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]methyl]phenyl]silane?
The canonical SMILES for triethoxy-[4-[[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]methyl]phenyl]silane is CCO[Si](OCC)(OCC)c1ccc(CN2C=CN(c3c(C)cc(C)cc3C)C2)cc1.
What is the InChIKey of triethoxy-[4-[[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]methyl]phenyl]silane?
The InChIKey is AFORBXPZGZKYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O3Si/c1-7-28-31(29-8-2,30-9-3)24-12-10-23(11-13-24)18-26-14-15-27(19-26)25-21(5)16-20(4)17-22(25)6/h10-17H,7-9,18-19H2,1-6H3.
What are the key properties of triethoxy-[4-[[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]methyl]phenyl]silane?
triethoxy-[4-[[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]methyl]phenyl]silane has a molecular weight of 440.66 g/mol, XLogP of 4.62, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[4-[[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]methyl]phenyl]silane is sourced from PubChem (CID 91024187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).