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

C23H33N5O4SSi — CID 58137160

IUPACtrimethyl-[2-[[5-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]benzimidazol-1-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1cnc2cc(-c3nc(CS(C)(=O)=O)cc(N4CCOCC4)n3)ccc21
InChIInChI=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
InChIKeyFHINJXDGRBRLDQ-UHFFFAOYSA-N
MW503.70 g/mol
LogP3.19
Rot. Bonds9

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 Nametrimethyl-[2-[[5-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]benzimidazol-1-yl]methoxy]ethyl]silane
PubChem CID58137160
Molecular FormulaC23H33N5O4SSi
Molecular Weight503.70 g/mol
Exact Mass503.20
IUPAC Nametrimethyl-[2-[[5-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]benzimidazol-1-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1cnc2cc(-c3nc(CS(C)(=O)=O)cc(N4CCOCC4)n3)ccc21
InChIInChI=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
InChIKeyFHINJXDGRBRLDQ-UHFFFAOYSA-N
XLogP3.19
TPSA99.44 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.70
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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-[[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).