2-[[2-bromo-4-(difluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane

C10H17BrF2N2OSi — CID 176911692

IUPAC2-[[2-bromo-4-(difluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(C(F)F)nc1Br
InChIInChI=1S/C10H17BrF2N2OSi/c1-17(2,3)5-4-16-7-15-6-8(9(12)13)14-10(15)11/h6,9H,4-5,7H2,1-3H3
InChIKeyZBQVPOSQTMRTGN-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.90
Rot. Bonds6

About 2-[[2-bromo-4-(difluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[2-bromo-4-(difluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 176911692) has the molecular formula C10H17BrF2N2OSi and a molecular weight of 327.25 g/mol. Its IUPAC name is 2-[[2-bromo-4-(difluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[2-bromo-4-(difluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID176911692
Molecular FormulaC10H17BrF2N2OSi
Molecular Weight327.25 g/mol
Exact Mass326.03
IUPAC Name2-[[2-bromo-4-(difluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(C(F)F)nc1Br
InChIInChI=1S/C10H17BrF2N2OSi/c1-17(2,3)5-4-16-7-15-6-8(9(12)13)14-10(15)11/h6,9H,4-5,7H2,1-3H3
InChIKeyZBQVPOSQTMRTGN-UHFFFAOYSA-N
XLogP3.90
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-bromo-4-iodopyrrol-1-yl)methoxy]ethyl-trimethylsilane
CID 175083132
2-[(2-bromo-3-fluoropyrrol-1-yl)methoxy]ethyl-trimethylsilane
CID 175192974
4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde
CID 87132869
4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
CID 140827014
2-[(2-bromo-7-methylpyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane
CID 86642309
2-[(5-bromoimidazo[4,5-b]pyrazin-3-yl)methoxy]ethyl-trimethylsilane
CID 131742099
2-[(4-ethynyl-2-methylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 58765592
2-[[2,5-dibromo-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 123200798
2-[(5-bromo-3-methyl-1,2,4-triazol-1-yl)methoxy]ethyl-trimethylsilane
CID 170992560
2-[[4-bromo-2-(2-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 86688618
2-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
CID 140891211
4-bromo-5-deuterio-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
CID 89459246

Frequently Asked Questions

What is the IUPAC name of 2-[[2-bromo-4-(difluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[2-bromo-4-(difluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 176911692) is 2-[[2-bromo-4-(difluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[2-bromo-4-(difluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[2-bromo-4-(difluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cc(C(F)F)nc1Br.
What is the InChIKey of 2-[[2-bromo-4-(difluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is ZBQVPOSQTMRTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrF2N2OSi/c1-17(2,3)5-4-16-7-15-6-8(9(12)13)14-10(15)11/h6,9H,4-5,7H2,1-3H3.
What are the key properties of 2-[[2-bromo-4-(difluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[2-bromo-4-(difluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 327.25 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-bromo-4-(difluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 176911692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).