trimethyl-[2-[[2-methyl-5-[7-[2-methyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]-1,1-dioxo-1,2,7-thiadiazepan-2-yl]benzimidazol-1-yl]methoxy]ethyl]silane

C32H50N6O4SSi2 — CID 59539148

IUPACtrimethyl-[2-[[2-methyl-5-[7-[2-methyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]-1,1-dioxo-1,2,7-thiadiazepan-2-yl]benzimidazol-1-yl]methoxy]ethyl]silane
SMILESCc1nc2cc(N3CCCCN(c4ccc5c(c4)nc(C)n5COCC[Si](C)(C)C)S3(=O)=O)ccc2n1COCC[Si](C)(C)C
InChIInChI=1S/C32H50N6O4SSi2/c1-25-33-29-21-27(11-13-31(29)35(25)23-41-17-19-44(3,4)5)37-15-9-10-16-38(43(37,39)40)28-12-14-32-30(22-28)34-26(2)36(32)24-42-18-20-45(6,7)8/h11-14,21-22H,9-10,15-20,23-24H2,1-8H3
InChIKeyQFGUIUXIFACQLZ-UHFFFAOYSA-N
MW671.03 g/mol
LogP6.98
Rot. Bonds12

About trimethyl-[2-[[2-methyl-5-[7-[2-methyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]-1,1-dioxo-1,2,7-thiadiazepan-2-yl]benzimidazol-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[2-methyl-5-[7-[2-methyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]-1,1-dioxo-1,2,7-thiadiazepan-2-yl]benzimidazol-1-yl]methoxy]ethyl]silane (PubChem CID 59539148) has the molecular formula C32H50N6O4SSi2 and a molecular weight of 671.03 g/mol. Its IUPAC name is trimethyl-[2-[[2-methyl-5-[7-[2-methyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]-1,1-dioxo-1,2,7-thiadiazepan-2-yl]benzimidazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[2-methyl-5-[7-[2-methyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]-1,1-dioxo-1,2,7-thiadiazepan-2-yl]benzimidazol-1-yl]methoxy]ethyl]silane
PubChem CID59539148
Molecular FormulaC32H50N6O4SSi2
Molecular Weight671.03 g/mol
Exact Mass670.32
IUPAC Nametrimethyl-[2-[[2-methyl-5-[7-[2-methyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]-1,1-dioxo-1,2,7-thiadiazepan-2-yl]benzimidazol-1-yl]methoxy]ethyl]silane
SMILESCc1nc2cc(N3CCCCN(c4ccc5c(c4)nc(C)n5COCC[Si](C)(C)C)S3(=O)=O)ccc2n1COCC[Si](C)(C)C
InChIInChI=1S/C32H50N6O4SSi2/c1-25-33-29-21-27(11-13-31(29)35(25)23-41-17-19-44(3,4)5)37-15-9-10-16-38(43(37,39)40)28-12-14-32-30(22-28)34-26(2)36(32)24-42-18-20-45(6,7)8/h11-14,21-22H,9-10,15-20,23-24H2,1-8H3
InChIKeyQFGUIUXIFACQLZ-UHFFFAOYSA-N
XLogP6.98
TPSA94.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.03
LogP ≤ 56.98
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'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[2-methyl-5-[7-[2-methyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]-1,1-dioxo-1,2,7-thiadiazepan-2-yl]benzimidazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[2-methyl-5-[7-[2-methyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]-1,1-dioxo-1,2,7-thiadiazepan-2-yl]benzimidazol-1-yl]methoxy]ethyl]silane (CID 59539148) is trimethyl-[2-[[2-methyl-5-[7-[2-methyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]-1,1-dioxo-1,2,7-thiadiazepan-2-yl]benzimidazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[2-methyl-5-[7-[2-methyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]-1,1-dioxo-1,2,7-thiadiazepan-2-yl]benzimidazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[2-methyl-5-[7-[2-methyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]-1,1-dioxo-1,2,7-thiadiazepan-2-yl]benzimidazol-1-yl]methoxy]ethyl]silane is Cc1nc2cc(N3CCCCN(c4ccc5c(c4)nc(C)n5COCC[Si](C)(C)C)S3(=O)=O)ccc2n1COCC[Si](C)(C)C.
What is the InChIKey of trimethyl-[2-[[2-methyl-5-[7-[2-methyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]-1,1-dioxo-1,2,7-thiadiazepan-2-yl]benzimidazol-1-yl]methoxy]ethyl]silane?
The InChIKey is QFGUIUXIFACQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H50N6O4SSi2/c1-25-33-29-21-27(11-13-31(29)35(25)23-41-17-19-44(3,4)5)37-15-9-10-16-38(43(37,39)40)28-12-14-32-30(22-28)34-26(2)36(32)24-42-18-20-45(6,7)8/h11-14,21-22H,9-10,15-20,23-24H2,1-8H3.
What are the key properties of trimethyl-[2-[[2-methyl-5-[7-[2-methyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]-1,1-dioxo-1,2,7-thiadiazepan-2-yl]benzimidazol-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[2-methyl-5-[7-[2-methyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]-1,1-dioxo-1,2,7-thiadiazepan-2-yl]benzimidazol-1-yl]methoxy]ethyl]silane has a molecular weight of 671.03 g/mol, XLogP of 6.98, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[2-methyl-5-[7-[2-methyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]-1,1-dioxo-1,2,7-thiadiazepan-2-yl]benzimidazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 59539148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).