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

C19H21BrF3N3OSi — CID 86727811

IUPAC2-[[6-bromo-2-[4-(trifluoromethyl)-2-pyridinyl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(-c2cc(C(F)(F)F)ccn2)nc2ccc(Br)cc21
InChIInChI=1S/C19H21BrF3N3OSi/c1-28(2,3)9-8-27-12-26-17-11-14(20)4-5-15(17)25-18(26)16-10-13(6-7-24-16)19(21,22)23/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeyJUYBBSIZYVGMEK-UHFFFAOYSA-N
MW472.38 g/mol
LogP6.19
Rot. Bonds6

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

2-[[6-bromo-2-[4-(trifluoromethyl)-2-pyridinyl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 86727811) has the molecular formula C19H21BrF3N3OSi and a molecular weight of 472.38 g/mol. Its IUPAC name is 2-[[6-bromo-2-[4-(trifluoromethyl)-2-pyridinyl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[6-bromo-2-[4-(trifluoromethyl)-2-pyridinyl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID86727811
Molecular FormulaC19H21BrF3N3OSi
Molecular Weight472.38 g/mol
Exact Mass471.06
IUPAC Name2-[[6-bromo-2-[4-(trifluoromethyl)-2-pyridinyl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(-c2cc(C(F)(F)F)ccn2)nc2ccc(Br)cc21
InChIInChI=1S/C19H21BrF3N3OSi/c1-28(2,3)9-8-27-12-26-17-11-14(20)4-5-15(17)25-18(26)16-10-13(6-7-24-16)19(21,22)23/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeyJUYBBSIZYVGMEK-UHFFFAOYSA-N
XLogP6.19
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.38
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[[6-bromo-2-[4-(trifluoromethyl)-2-pyridinyl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[6-bromo-2-[4-(trifluoromethyl)-2-pyridinyl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 86727811) is 2-[[6-bromo-2-[4-(trifluoromethyl)-2-pyridinyl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[6-bromo-2-[4-(trifluoromethyl)-2-pyridinyl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[6-bromo-2-[4-(trifluoromethyl)-2-pyridinyl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1c(-c2cc(C(F)(F)F)ccn2)nc2ccc(Br)cc21.
What is the InChIKey of 2-[[6-bromo-2-[4-(trifluoromethyl)-2-pyridinyl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is JUYBBSIZYVGMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrF3N3OSi/c1-28(2,3)9-8-27-12-26-17-11-14(20)4-5-15(17)25-18(26)16-10-13(6-7-24-16)19(21,22)23/h4-7,10-11H,8-9,12H2,1-3H3.
What are the key properties of 2-[[6-bromo-2-[4-(trifluoromethyl)-2-pyridinyl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[6-bromo-2-[4-(trifluoromethyl)-2-pyridinyl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 472.38 g/mol, XLogP of 6.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-bromo-2-[4-(trifluoromethyl)-2-pyridinyl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 86727811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).