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

C31H47F6N5O4SSi — CID 171778872

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

(R)-N-[(1R,2R)-1-[5-[(R)-cyclopropyl-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypropyl]-2-methylpropane-2-sulfinamide (PubChem CID 171778872) has the molecular formula C31H47F6N5O4SSi and a molecular weight of 727.89 g/mol. Its IUPAC name is (R)-N-[(1R,2R)-1-[5-[(R)-cyclopropyl-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypropyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

• Compound Name: (R)-N-[(1R,2R)-1-[5-[(R)-cyclopropyl-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypropyl]-2-methylpropane-2-sulfinamide
• PubChem CID: 171778872
• Molecular Formula: C31H47F6N5O4SSi
• Molecular Weight: 727.89 g/mol
• Exact Mass: 727.30
• IUPAC Name: (R)-N-[(1R,2R)-1-[5-[(R)-cyclopropyl-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypropyl]-2-methylpropane-2-sulfinamide
• SMILES: C[C@@H](O[C@H](C)C(F)(F)F)[C@H](N[S@](=O)C(C)(C)C)c1nc2cc([C@@H](C3CC3)N3C[C@@H](C(F)(F)F)NC3=O)ccc2n1COCC[Si](C)(C)C
• InChI: InChI=1S/C31H47F6N5O4SSi/c1-18(46-19(2)30(32,33)34)25(40-47(44)29(3,4)5)27-38-22-15-21(11-12-23(22)42(27)17-45-13-14-48(6,7)8)26(20-9-10-20)41-16-24(31(35,36)37)39-28(41)43/h11-12,15,18-20,24-26,40H,9-10,13-14,16-17H2,1-8H3,(H,39,43)/t18-,19-,24+,25+,26-,47-/m1/s1
• InChIKey: XUXLXQILXWWUCJ-FKQJRXSASA-N
• XLogP: 7.20
• TPSA: 97.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	727.89
LogP ≤ 5	7.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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,2R)-1-[5-[(R)-cyclopropyl-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypropyl]-2-methylpropane-2-sulfinamide?

The IUPAC name of (R)-N-[(1R,2R)-1-[5-[(R)-cyclopropyl-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypropyl]-2-methylpropane-2-sulfinamide (CID 171778872) is (R)-N-[(1R,2R)-1-[5-[(R)-cyclopropyl-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypropyl]-2-methylpropane-2-sulfinamide.

What is the SMILES notation for (R)-N-[(1R,2R)-1-[5-[(R)-cyclopropyl-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypropyl]-2-methylpropane-2-sulfinamide?

The canonical SMILES for (R)-N-[(1R,2R)-1-[5-[(R)-cyclopropyl-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypropyl]-2-methylpropane-2-sulfinamide is C[C@@H](O[C@H](C)C(F)(F)F)[C@H](N[S@](=O)C(C)(C)C)c1nc2cc([C@@H](C3CC3)N3C[C@@H](C(F)(F)F)NC3=O)ccc2n1COCC[Si](C)(C)C.

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

The InChIKey is XUXLXQILXWWUCJ-FKQJRXSASA-N. The full InChI is InChI=1S/C31H47F6N5O4SSi/c1-18(46-19(2)30(32,33)34)25(40-47(44)29(3,4)5)27-38-22-15-21(11-12-23(22)42(27)17-45-13-14-48(6,7)8)26(20-9-10-20)41-16-24(31(35,36)37)39-28(41)43/h11-12,15,18-20,24-26,40H,9-10,13-14,16-17H2,1-8H3,(H,39,43)/t18-,19-,24+,25+,26-,47-/m1/s1.

What are the key properties of (R)-N-[(1R,2R)-1-[5-[(R)-cyclopropyl-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypropyl]-2-methylpropane-2-sulfinamide?

(R)-N-[(1R,2R)-1-[5-[(R)-cyclopropyl-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypropyl]-2-methylpropane-2-sulfinamide has a molecular weight of 727.89 g/mol, XLogP of 7.20, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (R)-N-[(1R,2R)-1-[5-[(R)-cyclopropyl-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypropyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 171778872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).