trimethyl-[2-[[5-(3-methylphenyl)-2-piperidin-4-ylimidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane

C42H63F3N6O2Si2 — CID 91273110

IUPACtrimethyl-[2-[[5-(3-methylphenyl)-2-piperidin-4-ylimidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1cc(-c2cccc(C(F)(F)F)c2)nc1C1CCNCC1.Cc1cccc(-c2cnc(C3CCNCC3)n2COCC[Si](C)(C)C)c1
InChIInChI=1S/C21H30F3N3OSi.C21H33N3OSi/c1-29(2,3)12-11-28-15-27-14-19(26-20(27)16-7-9-25-10-8-16)17-5-4-6-18(13-17)21(22,23)24;1-17-6-5-7-19(14-17)20-15-23-21(18-8-10-22-11-9-18)24(20)16-25-12-13-26(2,3)4/h4-6,13-14,16,25H,7-12,15H2,1-3H3;5-7,14-15,18,22H,8-13,16H2,1-4H3
InChIKeyIFEAOOSTBBILHZ-UHFFFAOYSA-N
MW797.17 g/mol
LogP9.99
Rot. Bonds14

About trimethyl-[2-[[5-(3-methylphenyl)-2-piperidin-4-ylimidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[5-(3-methylphenyl)-2-piperidin-4-ylimidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane (PubChem CID 91273110) has the molecular formula C42H63F3N6O2Si2 and a molecular weight of 797.17 g/mol. Its IUPAC name is trimethyl-[2-[[5-(3-methylphenyl)-2-piperidin-4-ylimidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[5-(3-methylphenyl)-2-piperidin-4-ylimidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane
PubChem CID91273110
Molecular FormulaC42H63F3N6O2Si2
Molecular Weight797.17 g/mol
Exact Mass796.45
IUPAC Nametrimethyl-[2-[[5-(3-methylphenyl)-2-piperidin-4-ylimidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1cc(-c2cccc(C(F)(F)F)c2)nc1C1CCNCC1.Cc1cccc(-c2cnc(C3CCNCC3)n2COCC[Si](C)(C)C)c1
InChIInChI=1S/C21H30F3N3OSi.C21H33N3OSi/c1-29(2,3)12-11-28-15-27-14-19(26-20(27)16-7-9-25-10-8-16)17-5-4-6-18(13-17)21(22,23)24;1-17-6-5-7-19(14-17)20-15-23-21(18-8-10-22-11-9-18)24(20)16-25-12-13-26(2,3)4/h4-6,13-14,16,25H,7-12,15H2,1-3H3;5-7,14-15,18,22H,8-13,16H2,1-4H3
InChIKeyIFEAOOSTBBILHZ-UHFFFAOYSA-N
XLogP9.99
TPSA78.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.17
LogP ≤ 59.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

L-790070
CID 9806182
4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1H-imidazol-2-yl]-piperidine
CID 447721
{4-[3-Methyl-2-piperidin-4-yl-5-(3-trifluoromethyl-phenyl)-3H-imidazol-4-yl]-pyrimidin-2-yl}-((R)-1-phenyl-ethyl)-amine
CID 656907
2-Ethoxy-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine
CID 17917696
5-(4-Fluorophenyl)-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 89450704
N-cyclohexyl-4-[4-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]pyrimidin-2-amine
CID 44345766
4-[3-methyl-2-piperidin-4-yl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine
CID 18704766
6-{cis-3-Fluoro-4-[4-(4-fluoro-3-methyl-phenyl)-1-(2-methylamino-ethyl)-1H-imidazol-2-yl]-piperidin-1-yl}-5-isopropyl-pyrimidin-4-ylamine
CID 86268203
5-(3,4-Difluorophenyl)-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 89450265
6-[4-[4-[4-Fluoro-3-(trifluoromethyl)phenyl]-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5-methylpyrimidin-4-amine
CID 89450278
5-Ethyl-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 89450321
6-[4-[1-[2-(3,3-Difluoropyrrolidin-1-yl)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine
CID 89450464

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[5-(3-methylphenyl)-2-piperidin-4-ylimidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[5-(3-methylphenyl)-2-piperidin-4-ylimidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane (CID 91273110) is trimethyl-[2-[[5-(3-methylphenyl)-2-piperidin-4-ylimidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[5-(3-methylphenyl)-2-piperidin-4-ylimidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[5-(3-methylphenyl)-2-piperidin-4-ylimidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane is C[Si](C)(C)CCOCn1cc(-c2cccc(C(F)(F)F)c2)nc1C1CCNCC1.Cc1cccc(-c2cnc(C3CCNCC3)n2COCC[Si](C)(C)C)c1.
What is the InChIKey of trimethyl-[2-[[5-(3-methylphenyl)-2-piperidin-4-ylimidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane?
The InChIKey is IFEAOOSTBBILHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30F3N3OSi.C21H33N3OSi/c1-29(2,3)12-11-28-15-27-14-19(26-20(27)16-7-9-25-10-8-16)17-5-4-6-18(13-17)21(22,23)24;1-17-6-5-7-19(14-17)20-15-23-21(18-8-10-22-11-9-18)24(20)16-25-12-13-26(2,3)4/h4-6,13-14,16,25H,7-12,15H2,1-3H3;5-7,14-15,18,22H,8-13,16H2,1-4H3.
What are the key properties of trimethyl-[2-[[5-(3-methylphenyl)-2-piperidin-4-ylimidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[5-(3-methylphenyl)-2-piperidin-4-ylimidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane has a molecular weight of 797.17 g/mol, XLogP of 9.99, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[5-(3-methylphenyl)-2-piperidin-4-ylimidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 91273110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).