2-[[4-bromo-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane

C24H28BrF6N5OSi — CID 11520127

IUPAC2-[[4-bromo-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(N2CCN(c3ncccc3C(F)(F)F)CC2)nc2c(Br)cc(C(F)(F)F)cc21
InChIInChI=1S/C24H28BrF6N5OSi/c1-38(2,3)12-11-37-15-36-19-14-16(23(26,27)28)13-18(25)20(19)33-22(36)35-9-7-34(8-10-35)21-17(24(29,30)31)5-4-6-32-21/h4-6,13-14H,7-12,15H2,1-3H3
InChIKeyYTICZRORKNXVKL-UHFFFAOYSA-N
MW624.50 g/mol
LogP6.87
Rot. Bonds7

About 2-[[4-bromo-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-bromo-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 11520127) has the molecular formula C24H28BrF6N5OSi and a molecular weight of 624.50 g/mol. Its IUPAC name is 2-[[4-bromo-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-bromo-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID11520127
Molecular FormulaC24H28BrF6N5OSi
Molecular Weight624.50 g/mol
Exact Mass623.12
IUPAC Name2-[[4-bromo-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(N2CCN(c3ncccc3C(F)(F)F)CC2)nc2c(Br)cc(C(F)(F)F)cc21
InChIInChI=1S/C24H28BrF6N5OSi/c1-38(2,3)12-11-37-15-36-19-14-16(23(26,27)28)13-18(25)20(19)33-22(36)35-9-7-34(8-10-35)21-17(24(29,30)31)5-4-6-32-21/h4-6,13-14H,7-12,15H2,1-3H3
InChIKeyYTICZRORKNXVKL-UHFFFAOYSA-N
XLogP6.87
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.50
LogP ≤ 56.87
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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Frequently Asked Questions

What is the IUPAC name of 2-[[4-bromo-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-bromo-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 11520127) is 2-[[4-bromo-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-bromo-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-bromo-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1c(N2CCN(c3ncccc3C(F)(F)F)CC2)nc2c(Br)cc(C(F)(F)F)cc21.
What is the InChIKey of 2-[[4-bromo-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is YTICZRORKNXVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28BrF6N5OSi/c1-38(2,3)12-11-37-15-36-19-14-16(23(26,27)28)13-18(25)20(19)33-22(36)35-9-7-34(8-10-35)21-17(24(29,30)31)5-4-6-32-21/h4-6,13-14H,7-12,15H2,1-3H3.
What are the key properties of 2-[[4-bromo-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-bromo-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 624.50 g/mol, XLogP of 6.87, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-bromo-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 11520127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).