trimethyl-[2-[[6-[2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl]silane

C39H58N4O4Si3 — CID 22980686

IUPACtrimethyl-[2-[[6-[2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl]silane
SMILESCc1cc(OCOCC[Si](C)(C)C)ccc1-c1ccc2c(-c3nc4ccccc4n3COCC[Si](C)(C)C)nn(COCC[Si](C)(C)C)c2c1
InChIInChI=1S/C39H58N4O4Si3/c1-30-25-32(47-29-46-21-24-50(8,9)10)16-18-33(30)31-15-17-34-37(26-31)43(28-45-20-23-49(5,6)7)41-38(34)39-40-35-13-11-12-14-36(35)42(39)27-44-19-22-48(2,3)4/h11-18,25-26H,19-24,27-29H2,1-10H3
InChIKeyYNUHWSDRSYRSOF-UHFFFAOYSA-N
MW731.18 g/mol
LogP10.34
Rot. Bonds18

About trimethyl-[2-[[6-[2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[6-[2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl]silane (PubChem CID 22980686) has the molecular formula C39H58N4O4Si3 and a molecular weight of 731.18 g/mol. Its IUPAC name is trimethyl-[2-[[6-[2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[6-[2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl]silane
PubChem CID22980686
Molecular FormulaC39H58N4O4Si3
Molecular Weight731.18 g/mol
Exact Mass730.38
IUPAC Nametrimethyl-[2-[[6-[2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl]silane
SMILESCc1cc(OCOCC[Si](C)(C)C)ccc1-c1ccc2c(-c3nc4ccccc4n3COCC[Si](C)(C)C)nn(COCC[Si](C)(C)C)c2c1
InChIInChI=1S/C39H58N4O4Si3/c1-30-25-32(47-29-46-21-24-50(8,9)10)16-18-33(30)31-15-17-34-37(26-31)43(28-45-20-23-49(5,6)7)41-38(34)39-40-35-13-11-12-14-36(35)42(39)27-44-19-22-48(2,3)4/h11-18,25-26H,19-24,27-29H2,1-10H3
InChIKeyYNUHWSDRSYRSOF-UHFFFAOYSA-N
XLogP10.34
TPSA72.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.18
LogP ≤ 510.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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-[3,5-Bis(4-methoxyphenyl)-1-methyl-1h-pyrazol-4-yl]-1-methyl-1h-benzimidazole
CID 4884646
2-[6-(2-Ethyl-5-fluoro-4-methoxy-phenyl)-1-(tetrahydro-pyran-2-yl)-1H-indazol-3-yl]-1-(2-trimethylsilanyl-ethoxymethyl)-4,5,7,8-tetrahydro-1H-imidazo[4,5-d]azepine-6-carboxylic acid tert-butyl ester
CID 71237731
2-[6-(2-Ethyl-5-fluoro-4-methoxy-phenyl)-1-(tetrahydro-pyran-2-yl)-1H-indazol-3-yl]-1-(2-trimethylsilanyl-ethoxymethyl)-1,4,6,7-tetrahydro-imidazo[4,5-c]pyridine-5-carboxylic acid tert-butyl ester
CID 71237937
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
tert-butyl 2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-6-(pyrrolidin-1-ylmethyl)-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
CID 140909054
tert-butyl 2-[6-(2-ethyl-5-fluoro-4-methoxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-6-(hydroxymethyl)-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
CID 140909055
2-[[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 154689183
2-[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-N,N-dimethyl-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxamide
CID 154689249

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[6-[2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[6-[2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl]silane (CID 22980686) is trimethyl-[2-[[6-[2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[6-[2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[6-[2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl]silane is Cc1cc(OCOCC[Si](C)(C)C)ccc1-c1ccc2c(-c3nc4ccccc4n3COCC[Si](C)(C)C)nn(COCC[Si](C)(C)C)c2c1.
What is the InChIKey of trimethyl-[2-[[6-[2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl]silane?
The InChIKey is YNUHWSDRSYRSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H58N4O4Si3/c1-30-25-32(47-29-46-21-24-50(8,9)10)16-18-33(30)31-15-17-34-37(26-31)43(28-45-20-23-49(5,6)7)41-38(34)39-40-35-13-11-12-14-36(35)42(39)27-44-19-22-48(2,3)4/h11-18,25-26H,19-24,27-29H2,1-10H3.
What are the key properties of trimethyl-[2-[[6-[2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[6-[2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl]silane has a molecular weight of 731.18 g/mol, XLogP of 10.34, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[6-[2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 22980686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).