2-[[5-bromo-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane

C24H28BrF6N5OSi — CID 11606965

IUPAC2-[[5-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)nc2cc(Br)c(C(F)(F)F)cc21
InChIInChI=1S/C24H28BrF6N5OSi/c1-38(2,3)12-11-37-15-36-20-13-17(24(29,30)31)18(25)14-19(20)33-22(36)35-9-7-34(8-10-35)21-16(23(26,27)28)5-4-6-32-21/h4-6,13-14H,7-12,15H2,1-3H3
InChIKeyKWJIGMLJCAXBDK-UHFFFAOYSA-N
MW624.50 g/mol
LogP6.87
Rot. Bonds7

About 2-[[5-bromo-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-bromo-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 11606965) has the molecular formula C24H28BrF6N5OSi and a molecular weight of 624.50 g/mol. Its IUPAC name is 2-[[5-bromo-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-bromo-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID11606965
Molecular FormulaC24H28BrF6N5OSi
Molecular Weight624.50 g/mol
Exact Mass623.12
IUPAC Name2-[[5-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)nc2cc(Br)c(C(F)(F)F)cc21
InChIInChI=1S/C24H28BrF6N5OSi/c1-38(2,3)12-11-37-15-36-20-13-17(24(29,30)31)18(25)14-19(20)33-22(36)35-9-7-34(8-10-35)21-16(23(26,27)28)5-4-6-32-21/h4-6,13-14H,7-12,15H2,1-3H3
InChIKeyKWJIGMLJCAXBDK-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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Related Compounds

5-Bromo-6-trifluoromethyl-2-[4-(3-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-1H-benzoimidazole
CID 11511572
7-Bromo-2-{(2R)-2-methyl-4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-5-(trifluoromethyl)-1H-benzoimidazole
CID 10323982
4-Bromo-6-trifluoromethyl-2-[4-(3-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-1-(2-trimethylsilanyl-ethoxymethyl)-1H-benzoimidazole
CID 11520127
4-Piperidin-1-yl-6-trifluoromethyl-2-[4-(3-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-1-(2-trimethylsilanyl-ethoxymethyl)-1H-benzoimidazole
CID 11541868
2-[[2-[4-(5-Bromo-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 22969436
2-[4-[5-bromo-3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-6-(trifluoromethyl)-1H-benzimidazole
CID 57835117
6-Bromo-1-(ethoxymethyl)-2,5-bis(trifluoromethyl)benzimidazole
CID 86176575
4-(3-Trifluoromethyl-pyridin-2-yl)-1-[5-trifluoromethyl-1-(2-trimethylsilanyl-ethoxymethyl)-1H-benzoimidazol-2-yl]-piperazin-2-one
CID 86593829
4-[2-(2-fluoroethoxy)-6-[2-(trimethylsilyl)ethynyl]-1H-1,3-benzodiazol-1-yl]pyrimidin-2-amine
CID 86669614
6-bromo-2-(4-(trifluoromethyl)pyridin-2-yl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-benzo[d]imidazole
CID 86727811
6-(6-bromo-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118101425
2-(5-Bromopyridin-3-yl)-1-methyl-5-(trifluoromethyl)benzimidazole
CID 121458642

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-bromo-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 11606965) is 2-[[5-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-[[5-bromo-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-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)nc2cc(Br)c(C(F)(F)F)cc21.
What is the InChIKey of 2-[[5-bromo-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is KWJIGMLJCAXBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28BrF6N5OSi/c1-38(2,3)12-11-37-15-36-20-13-17(24(29,30)31)18(25)14-19(20)33-22(36)35-9-7-34(8-10-35)21-16(23(26,27)28)5-4-6-32-21/h4-6,13-14H,7-12,15H2,1-3H3.
What are the key properties of 2-[[5-bromo-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-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-[[5-bromo-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 11606965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).