trimethyl-[2-[[5-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]benzimidazol-1-yl]methoxy]ethyl]silane

C23H33N5O4SSi — CID 58137160

About trimethyl-[2-[[5-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]benzimidazol-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[5-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]benzimidazol-1-yl]methoxy]ethyl]silane (PubChem CID 58137160) has the molecular formula C23H33N5O4SSi and a molecular weight of 503.70 g/mol. Its IUPAC name is trimethyl-[2-[[5-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]benzimidazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

• Compound Name: trimethyl-[2-[[5-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]benzimidazol-1-yl]methoxy]ethyl]silane
• PubChem CID: 58137160
• Molecular Formula: C23H33N5O4SSi
• Molecular Weight: 503.70 g/mol
• Exact Mass: 503.20
• IUPAC Name: trimethyl-[2-[[5-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]benzimidazol-1-yl]methoxy]ethyl]silane
• SMILES: C[Si](C)(C)CCOCn1cnc2cc(-c3nc(CS(C)(=O)=O)cc(N4CCOCC4)n3)ccc21
• InChI: InChI=1S/C23H33N5O4SSi/c1-33(29,30)15-19-14-22(27-7-9-31-10-8-27)26-23(25-19)18-5-6-21-20(13-18)24-16-28(21)17-32-11-12-34(2,3)4/h5-6,13-14,16H,7-12,15,17H2,1-4H3
• InChIKey: FHINJXDGRBRLDQ-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 99.44 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.70
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[5-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]benzimidazol-1-yl]methoxy]ethyl]silane?

The IUPAC name of trimethyl-[2-[[5-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]benzimidazol-1-yl]methoxy]ethyl]silane (CID 58137160) is trimethyl-[2-[[5-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]benzimidazol-1-yl]methoxy]ethyl]silane.

What is the SMILES notation for trimethyl-[2-[[5-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]benzimidazol-1-yl]methoxy]ethyl]silane?

The canonical SMILES for trimethyl-[2-[[5-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]benzimidazol-1-yl]methoxy]ethyl]silane is C[Si](C)(C)CCOCn1cnc2cc(-c3nc(CS(C)(=O)=O)cc(N4CCOCC4)n3)ccc21.

What is the InChIKey of trimethyl-[2-[[5-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]benzimidazol-1-yl]methoxy]ethyl]silane?

The InChIKey is FHINJXDGRBRLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O4SSi/c1-33(29,30)15-19-14-22(27-7-9-31-10-8-27)26-23(25-19)18-5-6-21-20(13-18)24-16-28(21)17-32-11-12-34(2,3)4/h5-6,13-14,16H,7-12,15,17H2,1-4H3.

What are the key properties of trimethyl-[2-[[5-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]benzimidazol-1-yl]methoxy]ethyl]silane?

trimethyl-[2-[[5-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]benzimidazol-1-yl]methoxy]ethyl]silane has a molecular weight of 503.70 g/mol, XLogP of 3.19, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[2-[[5-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]benzimidazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 58137160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).