2-[[3-(1H-benzimidazol-2-yl)-5-[2,4-difluoro-6-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane

C32H40F2N4O3Si2 — CID 135718570

IUPAC2-[[3-(1H-benzimidazol-2-yl)-5-[2,4-difluoro-6-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCOc1cc(F)cc(F)c1-c1ccc2c(c1)c(-c1nc3ccccc3[nH]1)nn2COCC[Si](C)(C)C
InChIInChI=1S/C32H40F2N4O3Si2/c1-42(2,3)15-13-39-20-38-28-12-11-22(17-24(28)31(37-38)32-35-26-9-7-8-10-27(26)36-32)30-25(34)18-23(33)19-29(30)41-21-40-14-16-43(4,5)6/h7-12,17-19H,13-16,20-21H2,1-6H3,(H,35,36)
InChIKeyUCUWMKOGLOIXFP-UHFFFAOYSA-N
MW622.87 g/mol
LogP8.53
Rot. Bonds13

About 2-[[3-(1H-benzimidazol-2-yl)-5-[2,4-difluoro-6-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[3-(1H-benzimidazol-2-yl)-5-[2,4-difluoro-6-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 135718570) 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-[2,4-difluoro-6-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[3-(1H-benzimidazol-2-yl)-5-[2,4-difluoro-6-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID135718570
Molecular FormulaC32H40F2N4O3Si2
Molecular Weight622.87 g/mol
Exact Mass622.26
IUPAC Name2-[[3-(1H-benzimidazol-2-yl)-5-[2,4-difluoro-6-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCOc1cc(F)cc(F)c1-c1ccc2c(c1)c(-c1nc3ccccc3[nH]1)nn2COCC[Si](C)(C)C
InChIInChI=1S/C32H40F2N4O3Si2/c1-42(2,3)15-13-39-20-38-28-12-11-22(17-24(28)31(37-38)32-35-26-9-7-8-10-27(26)36-32)30-25(34)18-23(33)19-29(30)41-21-40-14-16-43(4,5)6/h7-12,17-19H,13-16,20-21H2,1-6H3,(H,35,36)
InChIKeyUCUWMKOGLOIXFP-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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Related Compounds

Spen-IN-1
CID 162679641
2-[[5-ethyl-2-fluoro-4-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenoxy]methoxy]ethyl-trimethylsilane
CID 146167584
6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-N,N-dimethyl-3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)indazole-1-sulfonamide
CID 146167606
2-[[3-(1H-benzimidazol-2-yl)-5-[2,6-difluoro-3-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 135718571
2-[[3-(1H-benzimidazol-2-yl)-5-[2,6-difluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 135718572
2-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-5-(2-difluoromethoxyphenyl)-1H-benzimidazole
CID 135981280
3-(1H-benzimidazol-2-yl)-5-(2,6-difluoro-4-methoxyphenyl)-1-methylindazole
CID 136116748
3-(1H-benzimidazol-2-yl)-5-(2,4-difluoro-6-methoxyphenyl)-1-methylindazole
CID 136116756
2-(5-tert-Butyl-2,4-dimethyl-2H-pyrazol-3-yl)-5-(2-fluoro-6-trifluoromethoxy-phenyl)-1H-benzimidazole hydrochloride
CID 136350258
2-(5-tert-butyl-2,4-dimethyl-2H-pyrazol-3-yl)-5-(2-fluoro-6-trifluoromethoxy-phenyl)-1H-benzimidazole
CID 136350259
2-(1H-indazol-3-yl)-6-(2,3,5-trifluoro-4-methoxyphenyl)-1H-benzimidazole
CID 136445143
2-[3-tert-butyl-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-6-[2-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)-1H-benzimidazole
CID 136484816

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1H-benzimidazol-2-yl)-5-[2,4-difluoro-6-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-(1H-benzimidazol-2-yl)-5-[2,4-difluoro-6-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 135718570) is 2-[[3-(1H-benzimidazol-2-yl)-5-[2,4-difluoro-6-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-(1H-benzimidazol-2-yl)-5-[2,4-difluoro-6-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-(1H-benzimidazol-2-yl)-5-[2,4-difluoro-6-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCOc1cc(F)cc(F)c1-c1ccc2c(c1)c(-c1nc3ccccc3[nH]1)nn2COCC[Si](C)(C)C.
What is the InChIKey of 2-[[3-(1H-benzimidazol-2-yl)-5-[2,4-difluoro-6-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is UCUWMKOGLOIXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40F2N4O3Si2/c1-42(2,3)15-13-39-20-38-28-12-11-22(17-24(28)31(37-38)32-35-26-9-7-8-10-27(26)36-32)30-25(34)18-23(33)19-29(30)41-21-40-14-16-43(4,5)6/h7-12,17-19H,13-16,20-21H2,1-6H3,(H,35,36).
What are the key properties of 2-[[3-(1H-benzimidazol-2-yl)-5-[2,4-difluoro-6-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[3-(1H-benzimidazol-2-yl)-5-[2,4-difluoro-6-(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-[2,4-difluoro-6-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 135718570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).