methyl 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazin-2-yl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrazin-2-yl]phenoxy]propanoate

C46H52F6N8O7Si — CID 157453866

About methyl 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazin-2-yl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrazin-2-yl]phenoxy]propanoate

methyl 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazin-2-yl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrazin-2-yl]phenoxy]propanoate (PubChem CID 157453866) has the molecular formula C46H52F6N8O7Si and a molecular weight of 971.04 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazin-2-yl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrazin-2-yl]phenoxy]propanoate.

Molecular Properties

• Compound Name: methyl 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazin-2-yl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrazin-2-yl]phenoxy]propanoate
• PubChem CID: 157453866
• Molecular Formula: C46H52F6N8O7Si
• Molecular Weight: 971.04 g/mol
• Exact Mass: 970.36
• IUPAC Name: methyl 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazin-2-yl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrazin-2-yl]phenoxy]propanoate
• SMILES: COC(=O)C(C)(C)COc1ccc(-c2cnc(-c3nc(C(F)(F)F)cn3COCC[Si](C)(C)C)cn2)cc1.COC(=O)C(C)(C)COc1ccc(-c2cnc(-c3ncc(C(F)(F)F)[nH]3)cn2)cc1
• InChI: InChI=1S/C26H33F3N4O4Si.C20H19F3N4O3/c1-25(2,24(34)35-3)16-37-19-9-7-18(8-10-19)20-13-31-21(14-30-20)23-32-22(26(27,28)29)15-33(23)17-36-11-12-38(4,5)6;1-19(2,18(28)29-3)11-30-13-6-4-12(5-7-13)14-8-25-15(9-24-14)17-26-10-16(27-17)20(21,22)23/h7-10,13-15H,11-12,16-17H2,1-6H3;4-10H,11H2,1-3H3,(H,26,27)
• InChIKey: BTCRULJGPCYMLS-UHFFFAOYSA-N
• XLogP: 10.05
• TPSA: 178.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 17
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	971.04
LogP ≤ 5	10.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

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 methyl 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazin-2-yl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrazin-2-yl]phenoxy]propanoate?

The IUPAC name of methyl 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazin-2-yl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrazin-2-yl]phenoxy]propanoate (CID 157453866) is methyl 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazin-2-yl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrazin-2-yl]phenoxy]propanoate.

What is the SMILES notation for methyl 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazin-2-yl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrazin-2-yl]phenoxy]propanoate?

The canonical SMILES for methyl 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazin-2-yl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrazin-2-yl]phenoxy]propanoate is COC(=O)C(C)(C)COc1ccc(-c2cnc(-c3nc(C(F)(F)F)cn3COCC[Si](C)(C)C)cn2)cc1.COC(=O)C(C)(C)COc1ccc(-c2cnc(-c3ncc(C(F)(F)F)[nH]3)cn2)cc1.

What is the InChIKey of methyl 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazin-2-yl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrazin-2-yl]phenoxy]propanoate?

The InChIKey is BTCRULJGPCYMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F3N4O4Si.C20H19F3N4O3/c1-25(2,24(34)35-3)16-37-19-9-7-18(8-10-19)20-13-31-21(14-30-20)23-32-22(26(27,28)29)15-33(23)17-36-11-12-38(4,5)6;1-19(2,18(28)29-3)11-30-13-6-4-12(5-7-13)14-8-25-15(9-24-14)17-26-10-16(27-17)20(21,22)23/h7-10,13-15H,11-12,16-17H2,1-6H3;4-10H,11H2,1-3H3,(H,26,27).

What are the key properties of methyl 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazin-2-yl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrazin-2-yl]phenoxy]propanoate?

methyl 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazin-2-yl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrazin-2-yl]phenoxy]propanoate has a molecular weight of 971.04 g/mol, XLogP of 10.05, 17 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazin-2-yl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrazin-2-yl]phenoxy]propanoate is sourced from PubChem (CID 157453866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).