trimethyl-[2-[[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane

C26H34F3N5OSi — CID 59073924

IUPACtrimethyl-[2-[[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane
SMILESCc1ccnc(N2CCN(c3nc(-c4cccc(C(F)(F)F)c4)cn3COCC[Si](C)(C)C)CC2)c1
InChIInChI=1S/C26H34F3N5OSi/c1-20-8-9-30-24(16-20)32-10-12-33(13-11-32)25-31-23(18-34(25)19-35-14-15-36(2,3)4)21-6-5-7-22(17-21)26(27,28)29/h5-9,16-18H,10-15,19H2,1-4H3
InChIKeyDDJPEAPUUNVOPH-UHFFFAOYSA-N
MW517.67 g/mol
LogP5.91
Rot. Bonds8

About trimethyl-[2-[[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane (PubChem CID 59073924) has the molecular formula C26H34F3N5OSi and a molecular weight of 517.67 g/mol. Its IUPAC name is trimethyl-[2-[[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane
PubChem CID59073924
Molecular FormulaC26H34F3N5OSi
Molecular Weight517.67 g/mol
Exact Mass517.25
IUPAC Nametrimethyl-[2-[[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane
SMILESCc1ccnc(N2CCN(c3nc(-c4cccc(C(F)(F)F)c4)cn3COCC[Si](C)(C)C)CC2)c1
InChIInChI=1S/C26H34F3N5OSi/c1-20-8-9-30-24(16-20)32-10-12-33(13-11-32)25-31-23(18-34(25)19-35-14-15-36(2,3)4)21-6-5-7-22(17-21)26(27,28)29/h5-9,16-18H,10-15,19H2,1-4H3
InChIKeyDDJPEAPUUNVOPH-UHFFFAOYSA-N
XLogP5.91
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.67
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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
SB-242235
CID 9863367
4-[5-(4-Fluoro-phenyl)-3-(3-morpholin-4-yl-propyl)-3H-imidazol-4-yl]-pyrimidin-2-ylamine
CID 9800117
SB-210313
CID 9885504
7-Methyl-5-morpholino-2-phenylimidazo[1,2-a]pyrimidine
CID 1472740
6-Methyl-3-(morpholinomethyl)-2-phenylimidazo[1,2-a]pyridine
CID 3594650
N-(3-imidazol-1-ylpropyl)-2-pyridin-4-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 4581419
4-[2-[4-(4-Fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]ethyl]morpholine
CID 9819884
2-[[4-[4,4-Bis(4-fluorophenyl)butyl]piperazin-1-yl]methyl]-3-(2-ethoxyethyl)imidazo[4,5-b]pyridine
CID 9828521
N,N-diethyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine
CID 10043599
N-benzyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-methylpropan-1-amine
CID 10250393
1-(3-Morpholinopropyl)-4-[3-(trifluoromethyl)phenyl]-5-(4-pyridyl)-1H-imidazole
CID 10525956

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane (CID 59073924) is trimethyl-[2-[[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane is Cc1ccnc(N2CCN(c3nc(-c4cccc(C(F)(F)F)c4)cn3COCC[Si](C)(C)C)CC2)c1.
What is the InChIKey of trimethyl-[2-[[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane?
The InChIKey is DDJPEAPUUNVOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34F3N5OSi/c1-20-8-9-30-24(16-20)32-10-12-33(13-11-32)25-31-23(18-34(25)19-35-14-15-36(2,3)4)21-6-5-7-22(17-21)26(27,28)29/h5-9,16-18H,10-15,19H2,1-4H3.
What are the key properties of trimethyl-[2-[[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane has a molecular weight of 517.67 g/mol, XLogP of 5.91, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 59073924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).