N-[(1R,2R)-1-[5-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypropyl]-2-methylpropane-2-sulfinamide

C30H47F6N5O5SSi — CID 175863929

About N-[(1R,2R)-1-[5-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-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)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypropyl]-2-methylpropane-2-sulfinamide (PubChem CID 175863929) has the molecular formula C30H47F6N5O5SSi and a molecular weight of 731.88 g/mol. Its IUPAC name is N-[(1R,2R)-1-[5-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-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)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypropyl]-2-methylpropane-2-sulfinamide
• PubChem CID: 175863929
• Molecular Formula: C30H47F6N5O5SSi
• Molecular Weight: 731.88 g/mol
• Exact Mass: 731.30
• IUPAC Name: N-[(1R,2R)-1-[5-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypropyl]-2-methylpropane-2-sulfinamide
• SMILES: COC[C@H](c1ccc2c(c1)nc([C@@H](NS(=O)C(C)(C)C)[C@@H](C)O[C@@H](C)C(F)(F)F)n2COCC[Si](C)(C)C)N1C[C@@H](C(F)(F)F)NC1=O
• InChI: InChI=1S/C30H47F6N5O5SSi/c1-18(46-19(2)29(31,32)33)25(39-47(43)28(3,4)5)26-37-21-14-20(10-11-22(21)41(26)17-45-12-13-48(7,8)9)23(16-44-6)40-15-24(30(34,35)36)38-27(40)42/h10-11,14,18-19,23-25,39H,12-13,15-17H2,1-9H3,(H,38,42)/t18-,19+,23-,24+,25+,47?/m1/s1
• InChIKey: XQVPDNZITVTTRD-UJNBGFSBSA-N
• XLogP: 6.44
• TPSA: 106.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	731.88
LogP ≤ 5	6.44
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)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-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)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypropyl]-2-methylpropane-2-sulfinamide (CID 175863929) is N-[(1R,2R)-1-[5-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-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)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-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)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypropyl]-2-methylpropane-2-sulfinamide is COC[C@H](c1ccc2c(c1)nc([C@@H](NS(=O)C(C)(C)C)[C@@H](C)O[C@@H](C)C(F)(F)F)n2COCC[Si](C)(C)C)N1C[C@@H](C(F)(F)F)NC1=O.

What is the InChIKey of N-[(1R,2R)-1-[5-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypropyl]-2-methylpropane-2-sulfinamide?

The InChIKey is XQVPDNZITVTTRD-UJNBGFSBSA-N. The full InChI is InChI=1S/C30H47F6N5O5SSi/c1-18(46-19(2)29(31,32)33)25(39-47(43)28(3,4)5)26-37-21-14-20(10-11-22(21)41(26)17-45-12-13-48(7,8)9)23(16-44-6)40-15-24(30(34,35)36)38-27(40)42/h10-11,14,18-19,23-25,39H,12-13,15-17H2,1-9H3,(H,38,42)/t18-,19+,23-,24+,25+,47?/m1/s1.

What are the key properties of N-[(1R,2R)-1-[5-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-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)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypropyl]-2-methylpropane-2-sulfinamide has a molecular weight of 731.88 g/mol, XLogP of 6.44, 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)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypropyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 175863929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).