trimethyl-[5-[3-[[4-(2-trimethylsilylethyl)phenyl]methyl]imidazol-3-ium-1-yl]pentyl]silane

C23H41N2Si2+ — CID 53325594

IUPACtrimethyl-[5-[3-[[4-(2-trimethylsilylethyl)phenyl]methyl]imidazol-3-ium-1-yl]pentyl]silane
SMILESC[Si](C)(C)CCCCCn1cc[n+](Cc2ccc(CC[Si](C)(C)C)cc2)c1
InChIInChI=1S/C23H41N2Si2/c1-26(2,3)18-9-7-8-15-24-16-17-25(21-24)20-23-12-10-22(11-13-23)14-19-27(4,5)6/h10-13,16-17,21H,7-9,14-15,18-20H2,1-6H3/q+1
InChIKeyPTDBLFOYXJMKHG-UHFFFAOYSA-N
MW401.77 g/mol
LogP6.21
Rot. Bonds11

About trimethyl-[5-[3-[[4-(2-trimethylsilylethyl)phenyl]methyl]imidazol-3-ium-1-yl]pentyl]silane

trimethyl-[5-[3-[[4-(2-trimethylsilylethyl)phenyl]methyl]imidazol-3-ium-1-yl]pentyl]silane (PubChem CID 53325594) has the molecular formula C23H41N2Si2+ and a molecular weight of 401.77 g/mol. Its IUPAC name is trimethyl-[5-[3-[[4-(2-trimethylsilylethyl)phenyl]methyl]imidazol-3-ium-1-yl]pentyl]silane.

Molecular Properties

Compound Nametrimethyl-[5-[3-[[4-(2-trimethylsilylethyl)phenyl]methyl]imidazol-3-ium-1-yl]pentyl]silane
PubChem CID53325594
Molecular FormulaC23H41N2Si2+
Molecular Weight401.77 g/mol
Exact Mass401.28
IUPAC Nametrimethyl-[5-[3-[[4-(2-trimethylsilylethyl)phenyl]methyl]imidazol-3-ium-1-yl]pentyl]silane
SMILESC[Si](C)(C)CCCCCn1cc[n+](Cc2ccc(CC[Si](C)(C)C)cc2)c1
InChIInChI=1S/C23H41N2Si2/c1-26(2,3)18-9-7-8-15-24-16-17-25(21-24)20-23-12-10-22(11-13-23)14-19-27(4,5)6/h10-13,16-17,21H,7-9,14-15,18-20H2,1-6H3/q+1
InChIKeyPTDBLFOYXJMKHG-UHFFFAOYSA-N
XLogP6.21
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.77
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3-heptylimidazol-1-ium
CID 87809088
1-benzyl-3-pentadecylimidazol-1-ium
CID 87812078
1-[(4-chlorophenyl)methyl]-3-octylimidazol-1-ium bromide
CID 88794670
1,4-bis[[4-[(3-octylimidazol-1-ium-1-yl)methyl]phenyl]methyl]-1,4-diazoniabicyclo[2.2.2]octane
CID 162703003
1-propyl-3-[[4-[(3-propylimidazol-1-ium-1-yl)methyl]phenyl]methyl]imidazol-3-ium
CID 139081696
1-[(4-decoxyphenyl)methyl]-3-[6-[3-[(4-decoxyphenyl)methyl]imidazol-3-ium-1-yl]hexyl]imidazol-1-ium dibromide
CID 175686330
4-(3-benzylimidazol-3-ium-1-yl)butan-1-amine bromide
CID 87121283
2-[4-[(3-hexadecylimidazol-1-ium-1-yl)methyl]phenyl]-5-phenyl-1,3-oxazole
CID 58544438
1-benzyl-3-propylimidazol-1-ium
CID 87808190
3-[3-[[6-[[3-(3-hydroxypropyl)imidazol-1-ium-1-yl]methyl]-2-pyridinyl]methyl]imidazol-3-ium-1-yl]propan-1-ol
CID 11420981
2-[4-[(3-hexadecylimidazol-1-ium-1-yl)methyl]phenyl]-5-phenyl-1,3-oxazole hexafluorophosphate
CID 131730276
1-heptyl-3-(4-phenylbutyl)imidazol-1-ium chloride
CID 23182143

Frequently Asked Questions

What is the IUPAC name of trimethyl-[5-[3-[[4-(2-trimethylsilylethyl)phenyl]methyl]imidazol-3-ium-1-yl]pentyl]silane?
The IUPAC name of trimethyl-[5-[3-[[4-(2-trimethylsilylethyl)phenyl]methyl]imidazol-3-ium-1-yl]pentyl]silane (CID 53325594) is trimethyl-[5-[3-[[4-(2-trimethylsilylethyl)phenyl]methyl]imidazol-3-ium-1-yl]pentyl]silane.
What is the SMILES notation for trimethyl-[5-[3-[[4-(2-trimethylsilylethyl)phenyl]methyl]imidazol-3-ium-1-yl]pentyl]silane?
The canonical SMILES for trimethyl-[5-[3-[[4-(2-trimethylsilylethyl)phenyl]methyl]imidazol-3-ium-1-yl]pentyl]silane is C[Si](C)(C)CCCCCn1cc[n+](Cc2ccc(CC[Si](C)(C)C)cc2)c1.
What is the InChIKey of trimethyl-[5-[3-[[4-(2-trimethylsilylethyl)phenyl]methyl]imidazol-3-ium-1-yl]pentyl]silane?
The InChIKey is PTDBLFOYXJMKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41N2Si2/c1-26(2,3)18-9-7-8-15-24-16-17-25(21-24)20-23-12-10-22(11-13-23)14-19-27(4,5)6/h10-13,16-17,21H,7-9,14-15,18-20H2,1-6H3/q+1.
What are the key properties of trimethyl-[5-[3-[[4-(2-trimethylsilylethyl)phenyl]methyl]imidazol-3-ium-1-yl]pentyl]silane?
trimethyl-[5-[3-[[4-(2-trimethylsilylethyl)phenyl]methyl]imidazol-3-ium-1-yl]pentyl]silane has a molecular weight of 401.77 g/mol, XLogP of 6.21, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[5-[3-[[4-(2-trimethylsilylethyl)phenyl]methyl]imidazol-3-ium-1-yl]pentyl]silane is sourced from PubChem (CID 53325594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).