[3-nitro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]methanol

C17H22F3N3O4Si — CID 169086392

IUPAC[3-nitro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]methanol
SMILESC[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(CO)cc1[N+](=O)[O-]
InChIInChI=1S/C17H22F3N3O4Si/c1-28(2,3)7-6-27-11-22-9-15(17(18,19)20)21-16(22)13-5-4-12(10-24)8-14(13)23(25)26/h4-5,8-9,24H,6-7,10-11H2,1-3H3
InChIKeyHSNQGAUDXCSGSQ-UHFFFAOYSA-N
MW417.46 g/mol
LogP4.28
Rot. Bonds8

About [3-nitro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]methanol

[3-nitro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]methanol (PubChem CID 169086392) has the molecular formula C17H22F3N3O4Si and a molecular weight of 417.46 g/mol. Its IUPAC name is [3-nitro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-nitro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]methanol
PubChem CID169086392
Molecular FormulaC17H22F3N3O4Si
Molecular Weight417.46 g/mol
Exact Mass417.13
IUPAC Name[3-nitro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]methanol
SMILESC[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(CO)cc1[N+](=O)[O-]
InChIInChI=1S/C17H22F3N3O4Si/c1-28(2,3)7-6-27-11-22-9-15(17(18,19)20)21-16(22)13-5-4-12(10-24)8-14(13)23(25)26/h4-5,8-9,24H,6-7,10-11H2,1-3H3
InChIKeyHSNQGAUDXCSGSQ-UHFFFAOYSA-N
XLogP4.28
TPSA90.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(5-ethylpyrimidin-2-yl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 162566497
4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde
CID 22018765
2-(4-bromo-2-nitrophenyl)-1-methyl-4-(trifluoromethyl)imidazole
CID 171530562
methyl 3-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoate
CID 67973607
trimethyl-[2-[(2-methyl-4-nitroimidazol-1-yl)methoxy]ethyl]silane
CID 168974471
1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid;methyl 1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylate
CID 162187776
2-[[2-(4-bromo-2-fluorophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-dimethylsulfanium
CID 162566498
tert-butyl 2,2-dimethyl-3-[2-methyl-4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate
CID 86698168
[3-methyl-5-nitro-4-(trifluoromethyl)phenyl]methanol
CID 131328459
2-[[2-(2-fluorohexa-1,3,5-trien-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 123576928
2-[(6-chloro-4-nitroindol-1-yl)methoxy]ethyl-trimethylsilane
CID 131736189
2-(2-nitrophenyl)-1H-imidazole;trimethyl-[2-[[2-(2-nitrophenyl)imidazol-1-yl]methoxy]ethyl]silane
CID 160908315

Frequently Asked Questions

What is the IUPAC name of [3-nitro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]methanol?
The IUPAC name of [3-nitro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]methanol (CID 169086392) is [3-nitro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]methanol.
What is the SMILES notation for [3-nitro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]methanol?
The canonical SMILES for [3-nitro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]methanol is C[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(CO)cc1[N+](=O)[O-].
What is the InChIKey of [3-nitro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]methanol?
The InChIKey is HSNQGAUDXCSGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O4Si/c1-28(2,3)7-6-27-11-22-9-15(17(18,19)20)21-16(22)13-5-4-12(10-24)8-14(13)23(25)26/h4-5,8-9,24H,6-7,10-11H2,1-3H3.
What are the key properties of [3-nitro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]methanol?
[3-nitro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]methanol has a molecular weight of 417.46 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-nitro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]methanol is sourced from PubChem (CID 169086392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).