2-[[2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane

C25H31F4N5OSi — CID 22969437

IUPAC2-[[2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(-c2cccc(C(F)(F)F)c2)nc1N1CCN(c2ccc(F)cn2)CC1
InChIInChI=1S/C25H31F4N5OSi/c1-36(2,3)14-13-35-18-34-17-22(19-5-4-6-20(15-19)25(27,28)29)31-24(34)33-11-9-32(10-12-33)23-8-7-21(26)16-30-23/h4-8,15-17H,9-14,18H2,1-3H3
InChIKeyHHQJCBXDIZJUDC-UHFFFAOYSA-N
MW521.64 g/mol
LogP5.74
Rot. Bonds8

About 2-[[2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 22969437) has the molecular formula C25H31F4N5OSi and a molecular weight of 521.64 g/mol. Its IUPAC name is 2-[[2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID22969437
Molecular FormulaC25H31F4N5OSi
Molecular Weight521.64 g/mol
Exact Mass521.22
IUPAC Name2-[[2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(-c2cccc(C(F)(F)F)c2)nc1N1CCN(c2ccc(F)cn2)CC1
InChIInChI=1S/C25H31F4N5OSi/c1-36(2,3)14-13-35-18-34-17-22(19-5-4-6-20(15-19)25(27,28)29)31-24(34)33-11-9-32(10-12-33)23-8-7-21(26)16-30-23/h4-8,15-17H,9-14,18H2,1-3H3
InChIKeyHHQJCBXDIZJUDC-UHFFFAOYSA-N
XLogP5.74
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.64
LogP ≤ 55.74
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
4-[5-(4-Fluoro-phenyl)-3-(1-methyl-piperidin-4-yl)-3H-imidazol-4-yl]-pyrimidin-2-ylamine
CID 22464113
4-(2-(4-Fluorophenyl)-7-{[(2-methoxyethyl)methylamino] methyl}imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-ylamine
CID 24887881
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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 22969437) is 2-[[2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cc(-c2cccc(C(F)(F)F)c2)nc1N1CCN(c2ccc(F)cn2)CC1.
What is the InChIKey of 2-[[2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is HHQJCBXDIZJUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F4N5OSi/c1-36(2,3)14-13-35-18-34-17-22(19-5-4-6-20(15-19)25(27,28)29)31-24(34)33-11-9-32(10-12-33)23-8-7-21(26)16-30-23/h4-8,15-17H,9-14,18H2,1-3H3.
What are the key properties of 2-[[2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 521.64 g/mol, XLogP of 5.74, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 22969437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).