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

C24H31Br6F9N6O2Si2 — CID 161367041

IUPAC2,4-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
SMILESC[Si](C)(C)CCOCn1c(Br)nc(Br)c1C(F)(F)F.C[Si](C)(C)CCOCn1c(Br)nc(C(F)(F)F)c1Br.FC(F)(F)c1[nH]c(Br)nc1Br
InChIInChI=1S/2C10H15Br2F3N2OSi.C4HBr2F3N2/c1-19(2,3)5-4-18-6-17-7(10(13,14)15)8(11)16-9(17)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/h2*4-6H2,1-3H3;(H,10,11)
InChIKeyVPYHBOYJIUQSBJ-UHFFFAOYSA-N
MW1142.13 g/mol
LogP12.43
Rot. Bonds10

About 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

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 (PubChem CID 161367041) has the molecular formula C24H31Br6F9N6O2Si2 and a molecular weight of 1142.13 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,4-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
PubChem CID161367041
Molecular FormulaC24H31Br6F9N6O2Si2
Molecular Weight1142.13 g/mol
Exact Mass1135.70
IUPAC Name2,4-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
SMILESC[Si](C)(C)CCOCn1c(Br)nc(Br)c1C(F)(F)F.C[Si](C)(C)CCOCn1c(Br)nc(C(F)(F)F)c1Br.FC(F)(F)c1[nH]c(Br)nc1Br
InChIInChI=1S/2C10H15Br2F3N2OSi.C4HBr2F3N2/c1-19(2,3)5-4-18-6-17-7(10(13,14)15)8(11)16-9(17)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/h2*4-6H2,1-3H3;(H,10,11)
InChIKeyVPYHBOYJIUQSBJ-UHFFFAOYSA-N
XLogP12.43
TPSA82.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms49
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001142.13
LogP ≤ 512.43
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'}

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[Si](C)(C)CCOCn1c(Br)nc(Br)c1C(F)(F)F.C[Si](C)(C)CCOCn1c(Br)nc(C(F)(F)F)c1Br.FC(F)(F)c1[nH]c(Br)nc1Br.
What is the InChIKey of 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?
The InChIKey is VPYHBOYJIUQSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15Br2F3N2OSi.C4HBr2F3N2/c1-19(2,3)5-4-18-6-17-7(10(13,14)15)8(11)16-9(17)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/h2*4-6H2,1-3H3;(H,10,11).
What are the key properties of 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?
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 has a molecular weight of 1142.13 g/mol, XLogP of 12.43, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161367041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).