2-[[2,5-bis[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane

C23H24F6N2OSi — CID 46895437

IUPAC2-[[2,5-bis[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(-c2ccc(C(F)(F)F)cc2)cnc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H24F6N2OSi/c1-33(2,3)13-12-32-15-31-20(16-4-8-18(9-5-16)22(24,25)26)14-30-21(31)17-6-10-19(11-7-17)23(27,28)29/h4-11,14H,12-13,15H2,1-3H3
InChIKeyHAKSWVIHCDTNBN-UHFFFAOYSA-N
MW486.53 g/mol
LogP7.57
Rot. Bonds7

About 2-[[2,5-bis[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[2,5-bis[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 46895437) has the molecular formula C23H24F6N2OSi and a molecular weight of 486.53 g/mol. Its IUPAC name is 2-[[2,5-bis[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[2,5-bis[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID46895437
Molecular FormulaC23H24F6N2OSi
Molecular Weight486.53 g/mol
Exact Mass486.16
IUPAC Name2-[[2,5-bis[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(-c2ccc(C(F)(F)F)cc2)cnc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H24F6N2OSi/c1-33(2,3)13-12-32-15-31-20(16-4-8-18(9-5-16)22(24,25)26)14-30-21(31)17-6-10-19(11-7-17)23(27,28)29/h4-11,14H,12-13,15H2,1-3H3
InChIKeyHAKSWVIHCDTNBN-UHFFFAOYSA-N
XLogP7.57
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.53
LogP ≤ 57.57
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-[(2,5-diphenylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 102185967
4-[2-(4-cyanophenyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]benzonitrile
CID 46895438
trimethyl-[2-[[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane
CID 150281377
trimethyl-[2-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane
CID 140810693
2-(4-methoxyphenyl)-1-methyl-5-[4-(trifluoromethyl)phenyl]imidazole
CID 53243372
trimethyl-[2-phenyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]silane
CID 14924368
2-[[2-(6-bromo-3-pyridinyl)-5-(1,1,2,2,2-pentafluoroethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 125498321
5-bromo-1-ethyl-2-[4-(trifluoromethyl)phenyl]imidazole
CID 117259482
2-[[4-bromo-5-(2-chloro-1,4-dihydropyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 67053559
4-[5-[5-methyl-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol
CID 137154484
trimethyl-[2-[[6-phosphoroso-4-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-1-ium-7-yl]methoxy]ethyl]silane
CID 175903508
5-(chloromethyl)-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole;hydrochloride
CID 44818483

Frequently Asked Questions

What is the IUPAC name of 2-[[2,5-bis[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[2,5-bis[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 46895437) is 2-[[2,5-bis[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[2,5-bis[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[2,5-bis[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1c(-c2ccc(C(F)(F)F)cc2)cnc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[[2,5-bis[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is HAKSWVIHCDTNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F6N2OSi/c1-33(2,3)13-12-32-15-31-20(16-4-8-18(9-5-16)22(24,25)26)14-30-21(31)17-6-10-19(11-7-17)23(27,28)29/h4-11,14H,12-13,15H2,1-3H3.
What are the key properties of 2-[[2,5-bis[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[2,5-bis[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 486.53 g/mol, XLogP of 7.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,5-bis[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 46895437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).