2-[[3-(1H-benzimidazol-2-yl)-5-[2,6-difluoro-3-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane

C32H40F2N4O3Si2 — CID 135718571

IUPAC2-[[3-(1H-benzimidazol-2-yl)-5-[2,6-difluoro-3-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCOc1ccc(F)c(-c2ccc3c(c2)c(-c2nc4ccccc4[nH]2)nn3COCC[Si](C)(C)C)c1F
InChIInChI=1S/C32H40F2N4O3Si2/c1-42(2,3)17-15-39-20-38-27-13-11-22(19-23(27)31(37-38)32-35-25-9-7-8-10-26(25)36-32)29-24(33)12-14-28(30(29)34)41-21-40-16-18-43(4,5)6/h7-14,19H,15-18,20-21H2,1-6H3,(H,35,36)
InChIKeyWUSGWSXLBYLTCC-UHFFFAOYSA-N
MW622.87 g/mol
LogP8.53
Rot. Bonds13

About 2-[[3-(1H-benzimidazol-2-yl)-5-[2,6-difluoro-3-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[3-(1H-benzimidazol-2-yl)-5-[2,6-difluoro-3-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 135718571) has the molecular formula C32H40F2N4O3Si2 and a molecular weight of 622.87 g/mol. Its IUPAC name is 2-[[3-(1H-benzimidazol-2-yl)-5-[2,6-difluoro-3-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[3-(1H-benzimidazol-2-yl)-5-[2,6-difluoro-3-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID135718571
Molecular FormulaC32H40F2N4O3Si2
Molecular Weight622.87 g/mol
Exact Mass622.26
IUPAC Name2-[[3-(1H-benzimidazol-2-yl)-5-[2,6-difluoro-3-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCOc1ccc(F)c(-c2ccc3c(c2)c(-c2nc4ccccc4[nH]2)nn3COCC[Si](C)(C)C)c1F
InChIInChI=1S/C32H40F2N4O3Si2/c1-42(2,3)17-15-39-20-38-27-13-11-22(19-23(27)31(37-38)32-35-25-9-7-8-10-26(25)36-32)29-24(33)12-14-28(30(29)34)41-21-40-16-18-43(4,5)6/h7-14,19H,15-18,20-21H2,1-6H3,(H,35,36)
InChIKeyWUSGWSXLBYLTCC-UHFFFAOYSA-N
XLogP8.53
TPSA74.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.87
LogP ≤ 58.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1H-benzimidazol-2-yl)-5-[2,6-difluoro-3-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-(1H-benzimidazol-2-yl)-5-[2,6-difluoro-3-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 135718571) is 2-[[3-(1H-benzimidazol-2-yl)-5-[2,6-difluoro-3-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-(1H-benzimidazol-2-yl)-5-[2,6-difluoro-3-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-(1H-benzimidazol-2-yl)-5-[2,6-difluoro-3-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCOc1ccc(F)c(-c2ccc3c(c2)c(-c2nc4ccccc4[nH]2)nn3COCC[Si](C)(C)C)c1F.
What is the InChIKey of 2-[[3-(1H-benzimidazol-2-yl)-5-[2,6-difluoro-3-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is WUSGWSXLBYLTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40F2N4O3Si2/c1-42(2,3)17-15-39-20-38-27-13-11-22(19-23(27)31(37-38)32-35-25-9-7-8-10-26(25)36-32)29-24(33)12-14-28(30(29)34)41-21-40-16-18-43(4,5)6/h7-14,19H,15-18,20-21H2,1-6H3,(H,35,36).
What are the key properties of 2-[[3-(1H-benzimidazol-2-yl)-5-[2,6-difluoro-3-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[3-(1H-benzimidazol-2-yl)-5-[2,6-difluoro-3-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 622.87 g/mol, XLogP of 8.53, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1H-benzimidazol-2-yl)-5-[2,6-difluoro-3-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 135718571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).