tert-butyl N-[(1R)-1-[5-[[4-methyl-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]carbamate

C30H45F6N5O5Si — CID 171778843

About tert-butyl N-[(1R)-1-[5-[[4-methyl-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]carbamate

tert-butyl N-[(1R)-1-[5-[[4-methyl-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]carbamate (PubChem CID 171778843) has the molecular formula C30H45F6N5O5Si and a molecular weight of 697.79 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-[5-[[4-methyl-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(1R)-1-[5-[[4-methyl-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]carbamate
• PubChem CID: 171778843
• Molecular Formula: C30H45F6N5O5Si
• Molecular Weight: 697.79 g/mol
• Exact Mass: 697.31
• IUPAC Name: tert-butyl N-[(1R)-1-[5-[[4-methyl-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]carbamate
• SMILES: CC(C)(C)OC(=O)N[C@@H](COC(C)(C)C(F)(F)F)c1nc2cc(CN3CC(C)(C(F)(F)F)NC3=O)ccc2n1COCC[Si](C)(C)C
• InChI: InChI=1S/C30H45F6N5O5Si/c1-26(2,3)46-25(43)38-21(16-45-27(4,5)29(31,32)33)23-37-20-14-19(15-40-17-28(6,30(34,35)36)39-24(40)42)10-11-22(20)41(23)18-44-12-13-47(7,8)9/h10-11,14,21H,12-13,15-18H2,1-9H3,(H,38,43)(H,39,42)/t21-,28?/m0/s1
• InChIKey: OMGUCGBYQOXLST-QDLLFRBVSA-N
• XLogP: 7.12
• TPSA: 106.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	697.79
LogP ≤ 5	7.12
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 tert-butyl N-[(1R)-1-[5-[[4-methyl-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]carbamate?

The IUPAC name of tert-butyl N-[(1R)-1-[5-[[4-methyl-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]carbamate (CID 171778843) is tert-butyl N-[(1R)-1-[5-[[4-methyl-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]carbamate.

What is the SMILES notation for tert-butyl N-[(1R)-1-[5-[[4-methyl-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]carbamate?

The canonical SMILES for tert-butyl N-[(1R)-1-[5-[[4-methyl-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]carbamate is CC(C)(C)OC(=O)N[C@@H](COC(C)(C)C(F)(F)F)c1nc2cc(CN3CC(C)(C(F)(F)F)NC3=O)ccc2n1COCC[Si](C)(C)C.

What is the InChIKey of tert-butyl N-[(1R)-1-[5-[[4-methyl-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]carbamate?

The InChIKey is OMGUCGBYQOXLST-QDLLFRBVSA-N. The full InChI is InChI=1S/C30H45F6N5O5Si/c1-26(2,3)46-25(43)38-21(16-45-27(4,5)29(31,32)33)23-37-20-14-19(15-40-17-28(6,30(34,35)36)39-24(40)42)10-11-22(20)41(23)18-44-12-13-47(7,8)9/h10-11,14,21H,12-13,15-18H2,1-9H3,(H,38,43)(H,39,42)/t21-,28?/m0/s1.

What are the key properties of tert-butyl N-[(1R)-1-[5-[[4-methyl-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]carbamate?

tert-butyl N-[(1R)-1-[5-[[4-methyl-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]carbamate has a molecular weight of 697.79 g/mol, XLogP of 7.12, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(1R)-1-[5-[[4-methyl-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]carbamate is sourced from PubChem (CID 171778843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).