2-[[4,5-dibromo-2-[3-(1,1-difluoropropyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane

C18H24Br2F2N2OSi — CID 142022669

IUPAC2-[[4,5-dibromo-2-[3-(1,1-difluoropropyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCCC(F)(F)c1cccc(-c2nc(Br)c(Br)n2COCC[Si](C)(C)C)c1
InChIInChI=1S/C18H24Br2F2N2OSi/c1-5-18(21,22)14-8-6-7-13(11-14)17-23-15(19)16(20)24(17)12-25-9-10-26(2,3)4/h6-8,11H,5,9-10,12H2,1-4H3
InChIKeyNZZWHNUIPOGIIW-UHFFFAOYSA-N
MW510.29 g/mol
LogP6.89
Rot. Bonds8

About 2-[[4,5-dibromo-2-[3-(1,1-difluoropropyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[4,5-dibromo-2-[3-(1,1-difluoropropyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 142022669) has the molecular formula C18H24Br2F2N2OSi and a molecular weight of 510.29 g/mol. Its IUPAC name is 2-[[4,5-dibromo-2-[3-(1,1-difluoropropyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4,5-dibromo-2-[3-(1,1-difluoropropyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID142022669
Molecular FormulaC18H24Br2F2N2OSi
Molecular Weight510.29 g/mol
Exact Mass508.00
IUPAC Name2-[[4,5-dibromo-2-[3-(1,1-difluoropropyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCCC(F)(F)c1cccc(-c2nc(Br)c(Br)n2COCC[Si](C)(C)C)c1
InChIInChI=1S/C18H24Br2F2N2OSi/c1-5-18(21,22)14-8-6-7-13(11-14)17-23-15(19)16(20)24(17)12-25-9-10-26(2,3)4/h6-8,11H,5,9-10,12H2,1-4H3
InChIKeyNZZWHNUIPOGIIW-UHFFFAOYSA-N
XLogP6.89
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.29
LogP ≤ 56.89
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-(3-bromophenyl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 22969432
2-[(4,5-dibromo-2-methoxyimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156708294
3-[5-[3-(trifluoromethoxy)phenyl]-4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]aniline
CID 68631092
2-[[2,5-dibromo-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 123200798
2-[[4-bromo-5-(2-chloropyrimidin-4-yl)-2-phenylimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 59137278
2-[[4-bromo-5-(2-chloro-1,4-dihydropyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 67053559
N-methyl-N-[3-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]ethanesulfonamide
CID 22969494
2-[(2-bromo-6-fluoro-3-phenylpyrrolo[3,2-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 170762564
2-[(2-bromo-5-phenylpyrrol-1-yl)methoxy]ethyl-trimethylsilane
CID 141389098
trimethyl-[2-[[6-phosphoroso-4-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-1-ium-7-yl]methoxy]ethyl]silane
CID 175903508
8-[4-[3-(4-fluorocyclohexa-2,4-dien-1-yl)prop-2-ynoxy]phenyl]-1-propyl-2-[3-(trifluoromethyl)phenyl]-7-(2-trimethylsilylethoxymethyl)purin-6-one
CID 91350536
trimethyl-[2-[[2-[4-(4-methylphenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane
CID 59073926

Frequently Asked Questions

What is the IUPAC name of 2-[[4,5-dibromo-2-[3-(1,1-difluoropropyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4,5-dibromo-2-[3-(1,1-difluoropropyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 142022669) is 2-[[4,5-dibromo-2-[3-(1,1-difluoropropyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4,5-dibromo-2-[3-(1,1-difluoropropyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4,5-dibromo-2-[3-(1,1-difluoropropyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane is CCC(F)(F)c1cccc(-c2nc(Br)c(Br)n2COCC[Si](C)(C)C)c1.
What is the InChIKey of 2-[[4,5-dibromo-2-[3-(1,1-difluoropropyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is NZZWHNUIPOGIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Br2F2N2OSi/c1-5-18(21,22)14-8-6-7-13(11-14)17-23-15(19)16(20)24(17)12-25-9-10-26(2,3)4/h6-8,11H,5,9-10,12H2,1-4H3.
What are the key properties of 2-[[4,5-dibromo-2-[3-(1,1-difluoropropyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4,5-dibromo-2-[3-(1,1-difluoropropyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 510.29 g/mol, XLogP of 6.89, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,5-dibromo-2-[3-(1,1-difluoropropyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 142022669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).