[2-(2,4-difluorophenyl)-1-(1H-imidazol-2-yl)-3-(1,2,4-triazol-1-yl)propan-2-yl]oxy-trimethylsilane

C17H21F2N5OSi — CID 67743835

IUPAC[2-(2,4-difluorophenyl)-1-(1H-imidazol-2-yl)-3-(1,2,4-triazol-1-yl)propan-2-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)OC(Cc1ncc[nH]1)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C17H21F2N5OSi/c1-26(2,3)25-17(9-16-21-6-7-22-16,10-24-12-20-11-23-24)14-5-4-13(18)8-15(14)19/h4-8,11-12H,9-10H2,1-3H3,(H,21,22)
InChIKeyOEUAMFPWBIQQOC-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.27
Rot. Bonds7

About [2-(2,4-difluorophenyl)-1-(1H-imidazol-2-yl)-3-(1,2,4-triazol-1-yl)propan-2-yl]oxy-trimethylsilane

[2-(2,4-difluorophenyl)-1-(1H-imidazol-2-yl)-3-(1,2,4-triazol-1-yl)propan-2-yl]oxy-trimethylsilane (PubChem CID 67743835) has the molecular formula C17H21F2N5OSi and a molecular weight of 377.47 g/mol. Its IUPAC name is [2-(2,4-difluorophenyl)-1-(1H-imidazol-2-yl)-3-(1,2,4-triazol-1-yl)propan-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[2-(2,4-difluorophenyl)-1-(1H-imidazol-2-yl)-3-(1,2,4-triazol-1-yl)propan-2-yl]oxy-trimethylsilane
PubChem CID67743835
Molecular FormulaC17H21F2N5OSi
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC Name[2-(2,4-difluorophenyl)-1-(1H-imidazol-2-yl)-3-(1,2,4-triazol-1-yl)propan-2-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)OC(Cc1ncc[nH]1)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C17H21F2N5OSi/c1-26(2,3)25-17(9-16-21-6-7-22-16,10-24-12-20-11-23-24)14-5-4-13(18)8-15(14)19/h4-8,11-12H,9-10H2,1-3H3,(H,21,22)
InChIKeyOEUAMFPWBIQQOC-UHFFFAOYSA-N
XLogP3.27
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2,4-difluorophenyl)-2-methoxy-3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole
CID 90757078
1-[2-(2,4-difluorophenyl)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butyl]-1,2,4-triazole;methane
CID 159552172
2-(2,4-difluorophenyl)-3-methyl-3-pyrimidin-4-yl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 18956517
[2-acetyloxy-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propyl] acetate
CID 21459695
1-[2-(2,4-difluorophenyl)-3-ethylsulfonyl-3,3-difluoro-2-methylpropyl]-1,2,4-triazole
CID 71188915
(2R)-2-(2,4-difluorophenyl)-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 58961300
2-(2,4-difluorophenyl)-3,3-dimethyl-4-sulfanyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 139619155
2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
CID 10988840
(3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-one
CID 141476977
2-(2,4-difluorophenyl)-4,4,5,5,5-pentafluoro-3-methyl-1-(1,2,4-triazol-1-yl)pentane-2,3-diol
CID 23324898
[2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] undecyl hydrogen phosphate
CID 11156957
2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-5-trimethylsilylpentan-2-ol
CID 11121337

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluorophenyl)-1-(1H-imidazol-2-yl)-3-(1,2,4-triazol-1-yl)propan-2-yl]oxy-trimethylsilane?
The IUPAC name of [2-(2,4-difluorophenyl)-1-(1H-imidazol-2-yl)-3-(1,2,4-triazol-1-yl)propan-2-yl]oxy-trimethylsilane (CID 67743835) is [2-(2,4-difluorophenyl)-1-(1H-imidazol-2-yl)-3-(1,2,4-triazol-1-yl)propan-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [2-(2,4-difluorophenyl)-1-(1H-imidazol-2-yl)-3-(1,2,4-triazol-1-yl)propan-2-yl]oxy-trimethylsilane?
The canonical SMILES for [2-(2,4-difluorophenyl)-1-(1H-imidazol-2-yl)-3-(1,2,4-triazol-1-yl)propan-2-yl]oxy-trimethylsilane is C[Si](C)(C)OC(Cc1ncc[nH]1)(Cn1cncn1)c1ccc(F)cc1F.
What is the InChIKey of [2-(2,4-difluorophenyl)-1-(1H-imidazol-2-yl)-3-(1,2,4-triazol-1-yl)propan-2-yl]oxy-trimethylsilane?
The InChIKey is OEUAMFPWBIQQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N5OSi/c1-26(2,3)25-17(9-16-21-6-7-22-16,10-24-12-20-11-23-24)14-5-4-13(18)8-15(14)19/h4-8,11-12H,9-10H2,1-3H3,(H,21,22).
What are the key properties of [2-(2,4-difluorophenyl)-1-(1H-imidazol-2-yl)-3-(1,2,4-triazol-1-yl)propan-2-yl]oxy-trimethylsilane?
[2-(2,4-difluorophenyl)-1-(1H-imidazol-2-yl)-3-(1,2,4-triazol-1-yl)propan-2-yl]oxy-trimethylsilane has a molecular weight of 377.47 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluorophenyl)-1-(1H-imidazol-2-yl)-3-(1,2,4-triazol-1-yl)propan-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 67743835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).