trimethyl-[2-[[5-[4-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-(3,4,5-trifluorophenyl)imidazol-1-yl]methoxy]ethyl]silane

C32H32F9N5OSi — CID 58625846

IUPACtrimethyl-[2-[[5-[4-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-(3,4,5-trifluorophenyl)imidazol-1-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1c(N2CCN(c3ncccc3C(F)(F)F)CC2)nc(-c2cc(F)c(F)c(F)c2)c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C32H32F9N5OSi/c1-48(2,3)16-15-47-19-46-28(20-6-8-22(9-7-20)31(36,37)38)27(21-17-24(33)26(35)25(34)18-21)43-30(46)45-13-11-44(12-14-45)29-23(32(39,40)41)5-4-10-42-29/h4-10,17-18H,11-16,19H2,1-3H3
InChIKeyXTMYTILXBQGAES-UHFFFAOYSA-N
MW701.71 g/mol
LogP8.71
Rot. Bonds9

About trimethyl-[2-[[5-[4-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-(3,4,5-trifluorophenyl)imidazol-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[5-[4-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-(3,4,5-trifluorophenyl)imidazol-1-yl]methoxy]ethyl]silane (PubChem CID 58625846) has the molecular formula C32H32F9N5OSi and a molecular weight of 701.71 g/mol. Its IUPAC name is trimethyl-[2-[[5-[4-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-(3,4,5-trifluorophenyl)imidazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[5-[4-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-(3,4,5-trifluorophenyl)imidazol-1-yl]methoxy]ethyl]silane
PubChem CID58625846
Molecular FormulaC32H32F9N5OSi
Molecular Weight701.71 g/mol
Exact Mass701.22
IUPAC Nametrimethyl-[2-[[5-[4-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-(3,4,5-trifluorophenyl)imidazol-1-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1c(N2CCN(c3ncccc3C(F)(F)F)CC2)nc(-c2cc(F)c(F)c(F)c2)c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C32H32F9N5OSi/c1-48(2,3)16-15-47-19-46-28(20-6-8-22(9-7-20)31(36,37)38)27(21-17-24(33)26(35)25(34)18-21)43-30(46)45-13-11-44(12-14-45)29-23(32(39,40)41)5-4-10-42-29/h4-10,17-18H,11-16,19H2,1-3H3
InChIKeyXTMYTILXBQGAES-UHFFFAOYSA-N
XLogP8.71
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.71
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze trimethyl-[2-[[5-[4-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-(3,4,5-trifluorophenyl)imidazol-1-yl]methoxy]ethyl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[5-[4-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-(3,4,5-trifluorophenyl)imidazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[5-[4-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-(3,4,5-trifluorophenyl)imidazol-1-yl]methoxy]ethyl]silane (CID 58625846) is trimethyl-[2-[[5-[4-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-(3,4,5-trifluorophenyl)imidazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[5-[4-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-(3,4,5-trifluorophenyl)imidazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[5-[4-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-(3,4,5-trifluorophenyl)imidazol-1-yl]methoxy]ethyl]silane is C[Si](C)(C)CCOCn1c(N2CCN(c3ncccc3C(F)(F)F)CC2)nc(-c2cc(F)c(F)c(F)c2)c1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of trimethyl-[2-[[5-[4-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-(3,4,5-trifluorophenyl)imidazol-1-yl]methoxy]ethyl]silane?
The InChIKey is XTMYTILXBQGAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F9N5OSi/c1-48(2,3)16-15-47-19-46-28(20-6-8-22(9-7-20)31(36,37)38)27(21-17-24(33)26(35)25(34)18-21)43-30(46)45-13-11-44(12-14-45)29-23(32(39,40)41)5-4-10-42-29/h4-10,17-18H,11-16,19H2,1-3H3.
What are the key properties of trimethyl-[2-[[5-[4-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-(3,4,5-trifluorophenyl)imidazol-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[5-[4-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-(3,4,5-trifluorophenyl)imidazol-1-yl]methoxy]ethyl]silane has a molecular weight of 701.71 g/mol, XLogP of 8.71, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[5-[4-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-(3,4,5-trifluorophenyl)imidazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 58625846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).