2-[[2-bromo-4,5-bis(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2,4-dibromo-5-(trifluoromethyl)-1H-imidazole;2-[[2,5-dibromo-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane

C25H31Br5F12N6O2Si2 — CID 159733138

IUPAC2-[[2-bromo-4,5-bis(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2,4-dibromo-5-(trifluoromethyl)-1H-imidazole;2-[[2,5-dibromo-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(Br)nc(C(F)(F)F)c1Br.C[Si](C)(C)CCOCn1c(Br)nc(C(F)(F)F)c1C(F)(F)F.FC(F)(F)c1[nH]c(Br)nc1Br
InChIInChI=1S/C11H15BrF6N2OSi.C10H15Br2F3N2OSi.C4HBr2F3N2/c1-22(2,3)5-4-21-6-20-8(11(16,17)18)7(10(13,14)15)19-9(20)12;1-19(2,3)5-4-18-6-17-8(11)7(10(13,14)15)16-9(17)12;5-2-1(4(7,8)9)10-3(6)11-2/h4-6H2,1-3H3;4-6H2,1-3H3;(H,10,11)
InChIKeyNBMKXZYMMLISJM-UHFFFAOYSA-N
MW1131.23 g/mol
LogP12.69
Rot. Bonds10

About 2-[[2-bromo-4,5-bis(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2,4-dibromo-5-(trifluoromethyl)-1H-imidazole;2-[[2,5-dibromo-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[2-bromo-4,5-bis(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2,4-dibromo-5-(trifluoromethyl)-1H-imidazole;2-[[2,5-dibromo-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 159733138) has the molecular formula C25H31Br5F12N6O2Si2 and a molecular weight of 1131.23 g/mol. Its IUPAC name is 2-[[2-bromo-4,5-bis(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2,4-dibromo-5-(trifluoromethyl)-1H-imidazole;2-[[2,5-dibromo-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[2-bromo-4,5-bis(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2,4-dibromo-5-(trifluoromethyl)-1H-imidazole;2-[[2,5-dibromo-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID159733138
Molecular FormulaC25H31Br5F12N6O2Si2
Molecular Weight1131.23 g/mol
Exact Mass1125.78
IUPAC Name2-[[2-bromo-4,5-bis(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2,4-dibromo-5-(trifluoromethyl)-1H-imidazole;2-[[2,5-dibromo-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(Br)nc(C(F)(F)F)c1Br.C[Si](C)(C)CCOCn1c(Br)nc(C(F)(F)F)c1C(F)(F)F.FC(F)(F)c1[nH]c(Br)nc1Br
InChIInChI=1S/C11H15BrF6N2OSi.C10H15Br2F3N2OSi.C4HBr2F3N2/c1-22(2,3)5-4-21-6-20-8(11(16,17)18)7(10(13,14)15)19-9(20)12;1-19(2,3)5-4-18-6-17-8(11)7(10(13,14)15)16-9(17)12;5-2-1(4(7,8)9)10-3(6)11-2/h4-6H2,1-3H3;4-6H2,1-3H3;(H,10,11)
InChIKeyNBMKXZYMMLISJM-UHFFFAOYSA-N
XLogP12.69
TPSA82.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001131.23
LogP ≤ 512.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[[2-bromo-4,5-bis(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2,4-dibromo-5-(trifluoromethyl)-1H-imidazole;2-[[2,5-dibromo-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane with MolForge

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Related Compounds

2,4-dibromo-5-(trifluoromethyl)-1H-imidazole;2-[[2,4-dibromo-5-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[2,5-dibromo-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 161367041
2-[[2,5-dibromo-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 123200798
2-bromo-4,5-dichloro-1H-imidazole;2-[(2-bromo-4,5-dichloroimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 159960041
2-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-4,5-dicarbonitrile
CID 19778352
2-[(4,5-dibromo-2-methoxyimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156708294
2-[[4-(chloromethyl)-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 68629497
3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[4,3-c]pyridin-4-one
CID 177301450
2-bromo-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one
CID 23137328
2-[[3-bromo-5-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 177304121
2-[[4,5-dibromo-2-[3-(1,1-difluoropropyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 142022669
trimethyl-[2-[[2-(trifluoromethyl)pyrrol-1-yl]methoxy]ethyl]silane
CID 175156101
2-[(5-bromo-3-methyl-1,2,4-triazol-1-yl)methoxy]ethyl-trimethylsilane
CID 170992560

Frequently Asked Questions

What is the IUPAC name of 2-[[2-bromo-4,5-bis(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2,4-dibromo-5-(trifluoromethyl)-1H-imidazole;2-[[2,5-dibromo-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[2-bromo-4,5-bis(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2,4-dibromo-5-(trifluoromethyl)-1H-imidazole;2-[[2,5-dibromo-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 159733138) is 2-[[2-bromo-4,5-bis(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2,4-dibromo-5-(trifluoromethyl)-1H-imidazole;2-[[2,5-dibromo-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[2-bromo-4,5-bis(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2,4-dibromo-5-(trifluoromethyl)-1H-imidazole;2-[[2,5-dibromo-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[2-bromo-4,5-bis(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2,4-dibromo-5-(trifluoromethyl)-1H-imidazole;2-[[2,5-dibromo-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1c(Br)nc(C(F)(F)F)c1Br.C[Si](C)(C)CCOCn1c(Br)nc(C(F)(F)F)c1C(F)(F)F.FC(F)(F)c1[nH]c(Br)nc1Br.
What is the InChIKey of 2-[[2-bromo-4,5-bis(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2,4-dibromo-5-(trifluoromethyl)-1H-imidazole;2-[[2,5-dibromo-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is NBMKXZYMMLISJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrF6N2OSi.C10H15Br2F3N2OSi.C4HBr2F3N2/c1-22(2,3)5-4-21-6-20-8(11(16,17)18)7(10(13,14)15)19-9(20)12;1-19(2,3)5-4-18-6-17-8(11)7(10(13,14)15)16-9(17)12;5-2-1(4(7,8)9)10-3(6)11-2/h4-6H2,1-3H3;4-6H2,1-3H3;(H,10,11).
What are the key properties of 2-[[2-bromo-4,5-bis(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2,4-dibromo-5-(trifluoromethyl)-1H-imidazole;2-[[2,5-dibromo-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[2-bromo-4,5-bis(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2,4-dibromo-5-(trifluoromethyl)-1H-imidazole;2-[[2,5-dibromo-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 1131.23 g/mol, XLogP of 12.69, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-bromo-4,5-bis(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2,4-dibromo-5-(trifluoromethyl)-1H-imidazole;2-[[2,5-dibromo-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 159733138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).