2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane;dichloromethane;2-[(3,5-difluorophenoxy)methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane

C40H61Cl2F2IN4O4Si3 — CID 136653253

IUPAC2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane;dichloromethane;2-[(3,5-difluorophenoxy)methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane
SMILESCCOCC[Si](C)(C)C.C[Si](C)(C)CCOCOc1cc(F)cc(F)c1.C[Si](C)(C)CCOCn1nc(-c2nc3ccccc3[nH]2)c2cc(I)ccc21.ClCCl
InChIInChI=1S/C20H23IN4OSi.C12H18F2O2Si.C7H18OSi.CH2Cl2/c1-27(2,3)11-10-26-13-25-18-9-8-14(21)12-15(18)19(24-25)20-22-16-6-4-5-7-17(16)23-20;1-17(2,3)5-4-15-9-16-12-7-10(13)6-11(14)8-12;1-5-8-6-7-9(2,3)4;2-1-3/h4-9,12H,10-11,13H2,1-3H3,(H,22,23);6-8H,4-5,9H2,1-3H3;5-7H2,1-4H3;1H2
InChIKeyTYFUVLLAQURTKR-UHFFFAOYSA-N
MW982.02 g/mol
LogP12.94
Rot. Bonds16

About 2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane;dichloromethane;2-[(3,5-difluorophenoxy)methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane

2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane;dichloromethane;2-[(3,5-difluorophenoxy)methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane (PubChem CID 136653253) has the molecular formula C40H61Cl2F2IN4O4Si3 and a molecular weight of 982.02 g/mol. Its IUPAC name is 2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane;dichloromethane;2-[(3,5-difluorophenoxy)methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane.

Molecular Properties

Compound Name2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane;dichloromethane;2-[(3,5-difluorophenoxy)methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane
PubChem CID136653253
Molecular FormulaC40H61Cl2F2IN4O4Si3
Molecular Weight982.02 g/mol
Exact Mass980.24
IUPAC Name2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane;dichloromethane;2-[(3,5-difluorophenoxy)methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane
SMILESCCOCC[Si](C)(C)C.C[Si](C)(C)CCOCOc1cc(F)cc(F)c1.C[Si](C)(C)CCOCn1nc(-c2nc3ccccc3[nH]2)c2cc(I)ccc21.ClCCl
InChIInChI=1S/C20H23IN4OSi.C12H18F2O2Si.C7H18OSi.CH2Cl2/c1-27(2,3)11-10-26-13-25-18-9-8-14(21)12-15(18)19(24-25)20-22-16-6-4-5-7-17(16)23-20;1-17(2,3)5-4-15-9-16-12-7-10(13)6-11(14)8-12;1-5-8-6-7-9(2,3)4;2-1-3/h4-9,12H,10-11,13H2,1-3H3,(H,22,23);6-8H,4-5,9H2,1-3H3;5-7H2,1-4H3;1H2
InChIKeyTYFUVLLAQURTKR-UHFFFAOYSA-N
XLogP12.94
TPSA83.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500982.02
LogP ≤ 512.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-(1H-benzimidazol-2-yl)-5-[2,4-difluoro-6-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 135718570
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
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-[[4-[3-(4,5-diiodo-1H-imidazol-2-yl)-7-fluoro-1-(oxan-2-yl)indazol-6-yl]-3-ethylphenoxy]methoxy]ethyl-trimethylsilane
CID 174059482
5-iodo-1-[(4-methoxyphenyl)methyl]-3-(5-methyl-4-phenyl-1H-imidazol-2-yl)indazole
CID 135685749
3-(1H-benzimidazol-2-yl)-5-iodo-1-[(4-methoxyphenyl)methyl]indazole
CID 135685751
1-[2-[5-iodo-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]-N,N-dimethylmethanamine
CID 135685761
2-[[3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 135718573
2-[[3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 135718574
2-[[3-(1H-benzimidazol-2-yl)-5-[2-methoxy-3-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 135718578

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane;dichloromethane;2-[(3,5-difluorophenoxy)methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane?
The IUPAC name of 2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane;dichloromethane;2-[(3,5-difluorophenoxy)methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane (CID 136653253) is 2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane;dichloromethane;2-[(3,5-difluorophenoxy)methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane.
What is the SMILES notation for 2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane;dichloromethane;2-[(3,5-difluorophenoxy)methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane?
The canonical SMILES for 2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane;dichloromethane;2-[(3,5-difluorophenoxy)methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane is CCOCC[Si](C)(C)C.C[Si](C)(C)CCOCOc1cc(F)cc(F)c1.C[Si](C)(C)CCOCn1nc(-c2nc3ccccc3[nH]2)c2cc(I)ccc21.ClCCl.
What is the InChIKey of 2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane;dichloromethane;2-[(3,5-difluorophenoxy)methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane?
The InChIKey is TYFUVLLAQURTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23IN4OSi.C12H18F2O2Si.C7H18OSi.CH2Cl2/c1-27(2,3)11-10-26-13-25-18-9-8-14(21)12-15(18)19(24-25)20-22-16-6-4-5-7-17(16)23-20;1-17(2,3)5-4-15-9-16-12-7-10(13)6-11(14)8-12;1-5-8-6-7-9(2,3)4;2-1-3/h4-9,12H,10-11,13H2,1-3H3,(H,22,23);6-8H,4-5,9H2,1-3H3;5-7H2,1-4H3;1H2.
What are the key properties of 2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane;dichloromethane;2-[(3,5-difluorophenoxy)methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane?
2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane;dichloromethane;2-[(3,5-difluorophenoxy)methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane has a molecular weight of 982.02 g/mol, XLogP of 12.94, 16 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane;dichloromethane;2-[(3,5-difluorophenoxy)methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane is sourced from PubChem (CID 136653253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).