2-[[4,5-bis[4-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane

C33H34F9N5OSi — CID 58625812

IUPAC2-[[4,5-bis[4-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(N2CCN(c3ncccc3C(F)(F)F)CC2)nc(-c2ccc(C(F)(F)F)cc2)c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C33H34F9N5OSi/c1-49(2,3)20-19-48-21-47-28(23-8-12-25(13-9-23)32(37,38)39)27(22-6-10-24(11-7-22)31(34,35)36)44-30(47)46-17-15-45(16-18-46)29-26(33(40,41)42)5-4-14-43-29/h4-14H,15-21H2,1-3H3
InChIKeyRZFFKTFGANUPFE-UHFFFAOYSA-N
MW715.74 g/mol
LogP9.31
Rot. Bonds9

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

2-[[4,5-bis[4-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 58625812) has the molecular formula C33H34F9N5OSi and a molecular weight of 715.74 g/mol. Its IUPAC name is 2-[[4,5-bis[4-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4,5-bis[4-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID58625812
Molecular FormulaC33H34F9N5OSi
Molecular Weight715.74 g/mol
Exact Mass715.24
IUPAC Name2-[[4,5-bis[4-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(N2CCN(c3ncccc3C(F)(F)F)CC2)nc(-c2ccc(C(F)(F)F)cc2)c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C33H34F9N5OSi/c1-49(2,3)20-19-48-21-47-28(23-8-12-25(13-9-23)32(37,38)39)27(22-6-10-24(11-7-22)31(34,35)36)44-30(47)46-17-15-45(16-18-46)29-26(33(40,41)42)5-4-14-43-29/h4-14H,15-21H2,1-3H3
InChIKeyRZFFKTFGANUPFE-UHFFFAOYSA-N
XLogP9.31
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.74
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4,5-bis[4-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4,5-bis[4-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 58625812) is 2-[[4,5-bis[4-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4,5-bis[4-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4,5-bis[4-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1c(N2CCN(c3ncccc3C(F)(F)F)CC2)nc(-c2ccc(C(F)(F)F)cc2)c1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[[4,5-bis[4-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is RZFFKTFGANUPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34F9N5OSi/c1-49(2,3)20-19-48-21-47-28(23-8-12-25(13-9-23)32(37,38)39)27(22-6-10-24(11-7-22)31(34,35)36)44-30(47)46-17-15-45(16-18-46)29-26(33(40,41)42)5-4-14-43-29/h4-14H,15-21H2,1-3H3.
What are the key properties of 2-[[4,5-bis[4-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4,5-bis[4-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 715.74 g/mol, XLogP of 9.31, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,5-bis[4-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 58625812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).