2-[[5,7-difluoro-2-methyl-6-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]oxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane

C25H26F2N6O2Si — CID 164870706

IUPAC2-[[5,7-difluoro-2-methyl-6-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]oxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1nc2cc(F)c(Oc3ccc4ncc(-c5cn[nH]c5)nc4c3)c(F)c2n1COCC[Si](C)(C)C
InChIInChI=1S/C25H26F2N6O2Si/c1-15-31-21-10-18(26)25(23(27)24(21)33(15)14-34-7-8-36(2,3)4)35-17-5-6-19-20(9-17)32-22(13-28-19)16-11-29-30-12-16/h5-6,9-13H,7-8,14H2,1-4H3,(H,29,30)
InChIKeyZOTJBKCSNUMYMR-UHFFFAOYSA-N
MW508.61 g/mol
LogP6.06
Rot. Bonds8

About 2-[[5,7-difluoro-2-methyl-6-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]oxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5,7-difluoro-2-methyl-6-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]oxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 164870706) has the molecular formula C25H26F2N6O2Si and a molecular weight of 508.61 g/mol. Its IUPAC name is 2-[[5,7-difluoro-2-methyl-6-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]oxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5,7-difluoro-2-methyl-6-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]oxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID164870706
Molecular FormulaC25H26F2N6O2Si
Molecular Weight508.61 g/mol
Exact Mass508.19
IUPAC Name2-[[5,7-difluoro-2-methyl-6-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]oxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1nc2cc(F)c(Oc3ccc4ncc(-c5cn[nH]c5)nc4c3)c(F)c2n1COCC[Si](C)(C)C
InChIInChI=1S/C25H26F2N6O2Si/c1-15-31-21-10-18(26)25(23(27)24(21)33(15)14-34-7-8-36(2,3)4)35-17-5-6-19-20(9-17)32-22(13-28-19)16-11-29-30-12-16/h5-6,9-13H,7-8,14H2,1-4H3,(H,29,30)
InChIKeyZOTJBKCSNUMYMR-UHFFFAOYSA-N
XLogP6.06
TPSA90.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.61
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[[5,7-difluoro-2-methyl-6-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]oxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5,7-difluoro-2-methyl-6-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]oxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 164870706) is 2-[[5,7-difluoro-2-methyl-6-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]oxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5,7-difluoro-2-methyl-6-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]oxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5,7-difluoro-2-methyl-6-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]oxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane is Cc1nc2cc(F)c(Oc3ccc4ncc(-c5cn[nH]c5)nc4c3)c(F)c2n1COCC[Si](C)(C)C.
What is the InChIKey of 2-[[5,7-difluoro-2-methyl-6-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]oxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is ZOTJBKCSNUMYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N6O2Si/c1-15-31-21-10-18(26)25(23(27)24(21)33(15)14-34-7-8-36(2,3)4)35-17-5-6-19-20(9-17)32-22(13-28-19)16-11-29-30-12-16/h5-6,9-13H,7-8,14H2,1-4H3,(H,29,30).
What are the key properties of 2-[[5,7-difluoro-2-methyl-6-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]oxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5,7-difluoro-2-methyl-6-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]oxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 508.61 g/mol, XLogP of 6.06, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5,7-difluoro-2-methyl-6-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]oxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 164870706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).