trimethyl-[2-[[2-(6-sulfonylcyclohexa-2,4-dien-1-yl)-1H-imidazol-5-yl]methoxy]ethyl]silane

C15H22N2O3SSi — CID 154179835

IUPACtrimethyl-[2-[[2-(6-sulfonylcyclohexa-2,4-dien-1-yl)-1H-imidazol-5-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCc1cnc(C2C=CC=CC2=S(=O)=O)[nH]1
InChIInChI=1S/C15H22N2O3SSi/c1-22(2,3)9-8-20-11-12-10-16-15(17-12)13-6-4-5-7-14(13)21(18)19/h4-7,10,13H,8-9,11H2,1-3H3,(H,16,17)
InChIKeyGDOOZFZMLQIJQS-UHFFFAOYSA-N
MW338.50 g/mol
LogP2.53
Rot. Bonds6

About trimethyl-[2-[[2-(6-sulfonylcyclohexa-2,4-dien-1-yl)-1H-imidazol-5-yl]methoxy]ethyl]silane

trimethyl-[2-[[2-(6-sulfonylcyclohexa-2,4-dien-1-yl)-1H-imidazol-5-yl]methoxy]ethyl]silane (PubChem CID 154179835) has the molecular formula C15H22N2O3SSi and a molecular weight of 338.50 g/mol. Its IUPAC name is trimethyl-[2-[[2-(6-sulfonylcyclohexa-2,4-dien-1-yl)-1H-imidazol-5-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[2-(6-sulfonylcyclohexa-2,4-dien-1-yl)-1H-imidazol-5-yl]methoxy]ethyl]silane
PubChem CID154179835
Molecular FormulaC15H22N2O3SSi
Molecular Weight338.50 g/mol
Exact Mass338.11
IUPAC Nametrimethyl-[2-[[2-(6-sulfonylcyclohexa-2,4-dien-1-yl)-1H-imidazol-5-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCc1cnc(C2C=CC=CC2=S(=O)=O)[nH]1
InChIInChI=1S/C15H22N2O3SSi/c1-22(2,3)9-8-20-11-12-10-16-15(17-12)13-6-4-5-7-14(13)21(18)19/h4-7,10,13H,8-9,11H2,1-3H3,(H,16,17)
InChIKeyGDOOZFZMLQIJQS-UHFFFAOYSA-N
XLogP2.53
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-(2-trimethylsilylethoxymethyl)-1H-imidazole-2-carbaldehyde
CID 87599786
[5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]methanol
CID 70088633
2-(2-trimethylsilylethoxymethyl)-7,9-dihydropurin-8-one
CID 154294883
trimethyl-[2-[(2-methyl-1H-imidazol-5-yl)oxy]ethyl]silane
CID 67828127
trimethyl-[2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methoxy]ethyl]silane
CID 123459953
2-[(5,6-dichloro-3-pyridinyl)methoxymethoxy]ethyl-trimethylsilane
CID 58625816
trimethyl-[2-[[2-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)-1H-imidazol-5-yl]methoxy]ethyl]silane
CID 123407707
6-sulfonylcyclohexa-2,4-diene-1-carboxylic acid
CID 87282734
trimethyl-[2-(thiophen-2-ylmethoxy)ethyl]silane
CID 10420808
2-(cyclohexa-2,4-dien-1-ylmethoxy)ethyl-trimethylsilane
CID 141048919
trimethyl-[2-[(4-methylphenyl)sulfinylmethoxy]ethyl]silane
CID 102085518
methyl N-[(2S)-1-[(2S)-2-[5-[4-[[2-[1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]methoxy]butoxymethyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 46908842

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[2-(6-sulfonylcyclohexa-2,4-dien-1-yl)-1H-imidazol-5-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[2-(6-sulfonylcyclohexa-2,4-dien-1-yl)-1H-imidazol-5-yl]methoxy]ethyl]silane (CID 154179835) is trimethyl-[2-[[2-(6-sulfonylcyclohexa-2,4-dien-1-yl)-1H-imidazol-5-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[2-(6-sulfonylcyclohexa-2,4-dien-1-yl)-1H-imidazol-5-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[2-(6-sulfonylcyclohexa-2,4-dien-1-yl)-1H-imidazol-5-yl]methoxy]ethyl]silane is C[Si](C)(C)CCOCc1cnc(C2C=CC=CC2=S(=O)=O)[nH]1.
What is the InChIKey of trimethyl-[2-[[2-(6-sulfonylcyclohexa-2,4-dien-1-yl)-1H-imidazol-5-yl]methoxy]ethyl]silane?
The InChIKey is GDOOZFZMLQIJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3SSi/c1-22(2,3)9-8-20-11-12-10-16-15(17-12)13-6-4-5-7-14(13)21(18)19/h4-7,10,13H,8-9,11H2,1-3H3,(H,16,17).
What are the key properties of trimethyl-[2-[[2-(6-sulfonylcyclohexa-2,4-dien-1-yl)-1H-imidazol-5-yl]methoxy]ethyl]silane?
trimethyl-[2-[[2-(6-sulfonylcyclohexa-2,4-dien-1-yl)-1H-imidazol-5-yl]methoxy]ethyl]silane has a molecular weight of 338.50 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[2-(6-sulfonylcyclohexa-2,4-dien-1-yl)-1H-imidazol-5-yl]methoxy]ethyl]silane is sourced from PubChem (CID 154179835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).