(R)-N-[(1R)-1-[5-[(1S)-1-amino-2-methoxyethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-2-methylpropane-2-sulfinamide

C26H45F3N4O4SSi — CID 171778899

About (R)-N-[(1R)-1-[5-[(1S)-1-amino-2-methoxyethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1R)-1-[5-[(1S)-1-amino-2-methoxyethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-2-methylpropane-2-sulfinamide (PubChem CID 171778899) has the molecular formula C26H45F3N4O4SSi and a molecular weight of 594.82 g/mol. Its IUPAC name is (R)-N-[(1R)-1-[5-[(1S)-1-amino-2-methoxyethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

• Compound Name: (R)-N-[(1R)-1-[5-[(1S)-1-amino-2-methoxyethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-2-methylpropane-2-sulfinamide
• PubChem CID: 171778899
• Molecular Formula: C26H45F3N4O4SSi
• Molecular Weight: 594.82 g/mol
• Exact Mass: 594.29
• IUPAC Name: (R)-N-[(1R)-1-[5-[(1S)-1-amino-2-methoxyethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-2-methylpropane-2-sulfinamide
• SMILES: COC[C@@H](N)c1ccc2c(c1)nc([C@H](COC(C)(C)C(F)(F)F)N[S@](=O)C(C)(C)C)n2COCC[Si](C)(C)C
• InChI: InChI=1S/C26H45F3N4O4SSi/c1-24(2,3)38(34)32-21(16-37-25(4,5)26(27,28)29)23-31-20-14-18(19(30)15-35-6)10-11-22(20)33(23)17-36-12-13-39(7,8)9/h10-11,14,19,21,32H,12-13,15-17,30H2,1-9H3/t19-,21+,38-/m1/s1
• InChIKey: BDPYLRJDDNLXEW-KLOWVBPASA-N
• XLogP: 5.45
• TPSA: 100.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	594.82
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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 (R)-N-[(1R)-1-[5-[(1S)-1-amino-2-methoxyethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-2-methylpropane-2-sulfinamide?

The IUPAC name of (R)-N-[(1R)-1-[5-[(1S)-1-amino-2-methoxyethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-2-methylpropane-2-sulfinamide (CID 171778899) is (R)-N-[(1R)-1-[5-[(1S)-1-amino-2-methoxyethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-2-methylpropane-2-sulfinamide.

What is the SMILES notation for (R)-N-[(1R)-1-[5-[(1S)-1-amino-2-methoxyethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-2-methylpropane-2-sulfinamide?

The canonical SMILES for (R)-N-[(1R)-1-[5-[(1S)-1-amino-2-methoxyethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-2-methylpropane-2-sulfinamide is COC[C@@H](N)c1ccc2c(c1)nc([C@H](COC(C)(C)C(F)(F)F)N[S@](=O)C(C)(C)C)n2COCC[Si](C)(C)C.

What is the InChIKey of (R)-N-[(1R)-1-[5-[(1S)-1-amino-2-methoxyethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-2-methylpropane-2-sulfinamide?

The InChIKey is BDPYLRJDDNLXEW-KLOWVBPASA-N. The full InChI is InChI=1S/C26H45F3N4O4SSi/c1-24(2,3)38(34)32-21(16-37-25(4,5)26(27,28)29)23-31-20-14-18(19(30)15-35-6)10-11-22(20)33(23)17-36-12-13-39(7,8)9/h10-11,14,19,21,32H,12-13,15-17,30H2,1-9H3/t19-,21+,38-/m1/s1.

What are the key properties of (R)-N-[(1R)-1-[5-[(1S)-1-amino-2-methoxyethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-2-methylpropane-2-sulfinamide?

(R)-N-[(1R)-1-[5-[(1S)-1-amino-2-methoxyethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 594.82 g/mol, XLogP of 5.45, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (R)-N-[(1R)-1-[5-[(1S)-1-amino-2-methoxyethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 171778899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).