6-[4-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperazin-1-yl]pyridine-3-carbonitrile

C26H31F3N6OSi — CID 22969464

About 6-[4-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperazin-1-yl]pyridine-3-carbonitrile

6-[4-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 22969464) has the molecular formula C26H31F3N6OSi and a molecular weight of 528.66 g/mol. Its IUPAC name is 6-[4-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[4-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperazin-1-yl]pyridine-3-carbonitrile
• PubChem CID: 22969464
• Molecular Formula: C26H31F3N6OSi
• Molecular Weight: 528.66 g/mol
• Exact Mass: 528.23
• IUPAC Name: 6-[4-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperazin-1-yl]pyridine-3-carbonitrile
• SMILES: C[Si](C)(C)CCOCn1cc(-c2cccc(C(F)(F)F)c2)nc1N1CCN(c2ccc(C#N)cn2)CC1
• InChI: InChI=1S/C26H31F3N6OSi/c1-37(2,3)14-13-36-19-35-18-23(21-5-4-6-22(15-21)26(27,28)29)32-25(35)34-11-9-33(10-12-34)24-8-7-20(16-30)17-31-24/h4-8,15,17-18H,9-14,19H2,1-3H3
• InChIKey: PRSXITYFCOGXNL-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 70.21 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.66
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	0
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 6-[4-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperazin-1-yl]pyridine-3-carbonitrile?

The IUPAC name of 6-[4-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperazin-1-yl]pyridine-3-carbonitrile (CID 22969464) is 6-[4-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperazin-1-yl]pyridine-3-carbonitrile.

What is the SMILES notation for 6-[4-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperazin-1-yl]pyridine-3-carbonitrile?

The canonical SMILES for 6-[4-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperazin-1-yl]pyridine-3-carbonitrile is C[Si](C)(C)CCOCn1cc(-c2cccc(C(F)(F)F)c2)nc1N1CCN(c2ccc(C#N)cn2)CC1.

What is the InChIKey of 6-[4-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperazin-1-yl]pyridine-3-carbonitrile?

The InChIKey is PRSXITYFCOGXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F3N6OSi/c1-37(2,3)14-13-36-19-35-18-23(21-5-4-6-22(15-21)26(27,28)29)32-25(35)34-11-9-33(10-12-34)24-8-7-20(16-30)17-31-24/h4-8,15,17-18H,9-14,19H2,1-3H3.

What are the key properties of 6-[4-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperazin-1-yl]pyridine-3-carbonitrile?

6-[4-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 528.66 g/mol, XLogP of 5.47, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 22969464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).