2-bromo-4,5-dichloro-1H-imidazole;2-[(2-bromo-4,5-dichloroimidazol-1-yl)methoxy]ethyl-trimethylsilane

C12H16Br2Cl4N4OSi — CID 159960041

IUPAC2-bromo-4,5-dichloro-1H-imidazole;2-[(2-bromo-4,5-dichloroimidazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(Br)nc(Cl)c1Cl.Clc1nc(Br)[nH]c1Cl
InChIInChI=1S/C9H15BrCl2N2OSi.C3HBrCl2N2/c1-16(2,3)5-4-15-6-14-8(12)7(11)13-9(14)10;4-3-7-1(5)2(6)8-3/h4-6H2,1-3H3;(H,7,8)
InChIKeyODFDCRXICMKZMZ-UHFFFAOYSA-N
MW561.99 g/mol
LogP6.74
Rot. Bonds5

About 2-bromo-4,5-dichloro-1H-imidazole;2-[(2-bromo-4,5-dichloroimidazol-1-yl)methoxy]ethyl-trimethylsilane

2-bromo-4,5-dichloro-1H-imidazole;2-[(2-bromo-4,5-dichloroimidazol-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 159960041) has the molecular formula C12H16Br2Cl4N4OSi and a molecular weight of 561.99 g/mol. Its IUPAC name is 2-bromo-4,5-dichloro-1H-imidazole;2-[(2-bromo-4,5-dichloroimidazol-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-bromo-4,5-dichloro-1H-imidazole;2-[(2-bromo-4,5-dichloroimidazol-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID159960041
Molecular FormulaC12H16Br2Cl4N4OSi
Molecular Weight561.99 g/mol
Exact Mass557.82
IUPAC Name2-bromo-4,5-dichloro-1H-imidazole;2-[(2-bromo-4,5-dichloroimidazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(Br)nc(Cl)c1Cl.Clc1nc(Br)[nH]c1Cl
InChIInChI=1S/C9H15BrCl2N2OSi.C3HBrCl2N2/c1-16(2,3)5-4-15-6-14-8(12)7(11)13-9(14)10;4-3-7-1(5)2(6)8-3/h4-6H2,1-3H3;(H,7,8)
InChIKeyODFDCRXICMKZMZ-UHFFFAOYSA-N
XLogP6.74
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.99
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4,5-dichloro-1-(2-trimethylsilylethoxymethyl)imidazole-2-sulfonyl chloride
CID 86761667
2-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-4,5-dicarbonitrile
CID 19778352
2-[[2,5-dibromo-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 123200798
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
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-bromo-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one
CID 23137328
2-[(2,6-dichloro-8-methylpurin-9-yl)methoxy]ethyl-trimethylsilane
CID 142339206
2-[(4,5-dibromo-2-methoxyimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156708294
2-[(5-bromo-3-methyl-1,2,4-triazol-1-yl)methoxy]ethyl-trimethylsilane
CID 170992560
2,3-dichloro-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-b]pyrazine-5,7-dione
CID 15471535
2-[[5-bromo-2-(chloromethyl)-6-(cyclopropylmethoxy)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[6-bromo-2-(chloromethyl)-5-(cyclopropylmethoxy)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 157058148
[5-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol
CID 174068018

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,5-dichloro-1H-imidazole;2-[(2-bromo-4,5-dichloroimidazol-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-bromo-4,5-dichloro-1H-imidazole;2-[(2-bromo-4,5-dichloroimidazol-1-yl)methoxy]ethyl-trimethylsilane (CID 159960041) is 2-bromo-4,5-dichloro-1H-imidazole;2-[(2-bromo-4,5-dichloroimidazol-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-bromo-4,5-dichloro-1H-imidazole;2-[(2-bromo-4,5-dichloroimidazol-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-bromo-4,5-dichloro-1H-imidazole;2-[(2-bromo-4,5-dichloroimidazol-1-yl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1c(Br)nc(Cl)c1Cl.Clc1nc(Br)[nH]c1Cl.
What is the InChIKey of 2-bromo-4,5-dichloro-1H-imidazole;2-[(2-bromo-4,5-dichloroimidazol-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is ODFDCRXICMKZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrCl2N2OSi.C3HBrCl2N2/c1-16(2,3)5-4-15-6-14-8(12)7(11)13-9(14)10;4-3-7-1(5)2(6)8-3/h4-6H2,1-3H3;(H,7,8).
What are the key properties of 2-bromo-4,5-dichloro-1H-imidazole;2-[(2-bromo-4,5-dichloroimidazol-1-yl)methoxy]ethyl-trimethylsilane?
2-bromo-4,5-dichloro-1H-imidazole;2-[(2-bromo-4,5-dichloroimidazol-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 561.99 g/mol, XLogP of 6.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,5-dichloro-1H-imidazole;2-[(2-bromo-4,5-dichloroimidazol-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 159960041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).