N-[(1R,2R)-1-[5-[(1S)-1-amino-2-cyclopropyloxyethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypropyl]-2-methylpropane-2-sulfinamide

C28H47F3N4O4SSi — CID 172509196

About N-[(1R,2R)-1-[5-[(1S)-1-amino-2-cyclopropyloxyethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypropyl]-2-methylpropane-2-sulfinamide

N-[(1R,2R)-1-[5-[(1S)-1-amino-2-cyclopropyloxyethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypropyl]-2-methylpropane-2-sulfinamide (PubChem CID 172509196) has the molecular formula C28H47F3N4O4SSi and a molecular weight of 620.86 g/mol. Its IUPAC name is N-[(1R,2R)-1-[5-[(1S)-1-amino-2-cyclopropyloxyethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypropyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

• Compound Name: N-[(1R,2R)-1-[5-[(1S)-1-amino-2-cyclopropyloxyethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypropyl]-2-methylpropane-2-sulfinamide
• PubChem CID: 172509196
• Molecular Formula: C28H47F3N4O4SSi
• Molecular Weight: 620.86 g/mol
• Exact Mass: 620.30
• IUPAC Name: N-[(1R,2R)-1-[5-[(1S)-1-amino-2-cyclopropyloxyethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypropyl]-2-methylpropane-2-sulfinamide
• SMILES: C[C@H](O[C@H](C)[C@H](NS(=O)C(C)(C)C)c1nc2cc([C@H](N)COC3CC3)ccc2n1COCC[Si](C)(C)C)C(F)(F)F
• InChI: InChI=1S/C28H47F3N4O4SSi/c1-18(39-19(2)28(29,30)31)25(34-40(36)27(3,4)5)26-33-23-15-20(22(32)16-38-21-10-11-21)9-12-24(23)35(26)17-37-13-14-41(6,7)8/h9,12,15,18-19,21-22,25,34H,10-11,13-14,16-17,32H2,1-8H3/t18-,19+,22-,25+,40?/m1/s1
• InChIKey: GBKHAYNVUTTYHA-WKKUCIAKSA-N
• XLogP: 5.98
• TPSA: 100.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	620.86
LogP ≤ 5	5.98
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 N-[(1R,2R)-1-[5-[(1S)-1-amino-2-cyclopropyloxyethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypropyl]-2-methylpropane-2-sulfinamide?

The IUPAC name of N-[(1R,2R)-1-[5-[(1S)-1-amino-2-cyclopropyloxyethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypropyl]-2-methylpropane-2-sulfinamide (CID 172509196) is N-[(1R,2R)-1-[5-[(1S)-1-amino-2-cyclopropyloxyethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypropyl]-2-methylpropane-2-sulfinamide.

What is the SMILES notation for N-[(1R,2R)-1-[5-[(1S)-1-amino-2-cyclopropyloxyethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypropyl]-2-methylpropane-2-sulfinamide?

The canonical SMILES for N-[(1R,2R)-1-[5-[(1S)-1-amino-2-cyclopropyloxyethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypropyl]-2-methylpropane-2-sulfinamide is C[C@H](O[C@H](C)[C@H](NS(=O)C(C)(C)C)c1nc2cc([C@H](N)COC3CC3)ccc2n1COCC[Si](C)(C)C)C(F)(F)F.

What is the InChIKey of N-[(1R,2R)-1-[5-[(1S)-1-amino-2-cyclopropyloxyethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypropyl]-2-methylpropane-2-sulfinamide?

The InChIKey is GBKHAYNVUTTYHA-WKKUCIAKSA-N. The full InChI is InChI=1S/C28H47F3N4O4SSi/c1-18(39-19(2)28(29,30)31)25(34-40(36)27(3,4)5)26-33-23-15-20(22(32)16-38-21-10-11-21)9-12-24(23)35(26)17-37-13-14-41(6,7)8/h9,12,15,18-19,21-22,25,34H,10-11,13-14,16-17,32H2,1-8H3/t18-,19+,22-,25+,40?/m1/s1.

What are the key properties of N-[(1R,2R)-1-[5-[(1S)-1-amino-2-cyclopropyloxyethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypropyl]-2-methylpropane-2-sulfinamide?

N-[(1R,2R)-1-[5-[(1S)-1-amino-2-cyclopropyloxyethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypropyl]-2-methylpropane-2-sulfinamide has a molecular weight of 620.86 g/mol, XLogP of 5.98, 15 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2R)-1-[5-[(1S)-1-amino-2-cyclopropyloxyethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypropyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 172509196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).