trimethyl-[2-[[(4S)-2-phenylsulfanyl-4-[2-phenylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-4,5,6,7-tetrahydrobenzimidazol-1-yl]methoxy]ethyl]silane

C34H48N4O2S2Si2 — CID 101419390

IUPACtrimethyl-[2-[[(4S)-2-phenylsulfanyl-4-[2-phenylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-4,5,6,7-tetrahydrobenzimidazol-1-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1c([C@@H]2CCCc3c2nc(Sc2ccccc2)n3COCC[Si](C)(C)C)cnc1Sc1ccccc1
InChIInChI=1S/C34H48N4O2S2Si2/c1-43(2,3)22-20-39-25-37-30-19-13-18-29(32(30)36-34(37)42-28-16-11-8-12-17-28)31-24-35-33(41-27-14-9-7-10-15-27)38(31)26-40-21-23-44(4,5)6/h7-12,14-17,24,29H,13,18-23,25-26H2,1-6H3/t29-/m0/s1
InChIKeyANWYSKWUNMCRJE-LJAQVGFWSA-N
MW665.09 g/mol
LogP9.47
Rot. Bonds15

About trimethyl-[2-[[(4S)-2-phenylsulfanyl-4-[2-phenylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-4,5,6,7-tetrahydrobenzimidazol-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[(4S)-2-phenylsulfanyl-4-[2-phenylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-4,5,6,7-tetrahydrobenzimidazol-1-yl]methoxy]ethyl]silane (PubChem CID 101419390) has the molecular formula C34H48N4O2S2Si2 and a molecular weight of 665.09 g/mol. Its IUPAC name is trimethyl-[2-[[(4S)-2-phenylsulfanyl-4-[2-phenylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-4,5,6,7-tetrahydrobenzimidazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[(4S)-2-phenylsulfanyl-4-[2-phenylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-4,5,6,7-tetrahydrobenzimidazol-1-yl]methoxy]ethyl]silane
PubChem CID101419390
Molecular FormulaC34H48N4O2S2Si2
Molecular Weight665.09 g/mol
Exact Mass664.28
IUPAC Nametrimethyl-[2-[[(4S)-2-phenylsulfanyl-4-[2-phenylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-4,5,6,7-tetrahydrobenzimidazol-1-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1c([C@@H]2CCCc3c2nc(Sc2ccccc2)n3COCC[Si](C)(C)C)cnc1Sc1ccccc1
InChIInChI=1S/C34H48N4O2S2Si2/c1-43(2,3)22-20-39-25-37-30-19-13-18-29(32(30)36-34(37)42-28-16-11-8-12-17-28)31-24-35-33(41-27-14-9-7-10-15-27)38(31)26-40-21-23-44(4,5)6/h7-12,14-17,24,29H,13,18-23,25-26H2,1-6H3/t29-/m0/s1
InChIKeyANWYSKWUNMCRJE-LJAQVGFWSA-N
XLogP9.47
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.09
LogP ≤ 59.47
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-[[(4S)-2-phenylsulfanyl-4-[2-phenylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-4,5,6,7-tetrahydrobenzimidazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[(4S)-2-phenylsulfanyl-4-[2-phenylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-4,5,6,7-tetrahydrobenzimidazol-1-yl]methoxy]ethyl]silane (CID 101419390) is trimethyl-[2-[[(4S)-2-phenylsulfanyl-4-[2-phenylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-4,5,6,7-tetrahydrobenzimidazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[(4S)-2-phenylsulfanyl-4-[2-phenylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-4,5,6,7-tetrahydrobenzimidazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[(4S)-2-phenylsulfanyl-4-[2-phenylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-4,5,6,7-tetrahydrobenzimidazol-1-yl]methoxy]ethyl]silane is C[Si](C)(C)CCOCn1c([C@@H]2CCCc3c2nc(Sc2ccccc2)n3COCC[Si](C)(C)C)cnc1Sc1ccccc1.
What is the InChIKey of trimethyl-[2-[[(4S)-2-phenylsulfanyl-4-[2-phenylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-4,5,6,7-tetrahydrobenzimidazol-1-yl]methoxy]ethyl]silane?
The InChIKey is ANWYSKWUNMCRJE-LJAQVGFWSA-N. The full InChI is InChI=1S/C34H48N4O2S2Si2/c1-43(2,3)22-20-39-25-37-30-19-13-18-29(32(30)36-34(37)42-28-16-11-8-12-17-28)31-24-35-33(41-27-14-9-7-10-15-27)38(31)26-40-21-23-44(4,5)6/h7-12,14-17,24,29H,13,18-23,25-26H2,1-6H3/t29-/m0/s1.
What are the key properties of trimethyl-[2-[[(4S)-2-phenylsulfanyl-4-[2-phenylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-4,5,6,7-tetrahydrobenzimidazol-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[(4S)-2-phenylsulfanyl-4-[2-phenylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-4,5,6,7-tetrahydrobenzimidazol-1-yl]methoxy]ethyl]silane has a molecular weight of 665.09 g/mol, XLogP of 9.47, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[(4S)-2-phenylsulfanyl-4-[2-phenylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-4,5,6,7-tetrahydrobenzimidazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 101419390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).