trimethyl-[2-[[2-piperazin-1-yl-5-[4-(trifluoromethyl)phenyl]-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

C58H62F15N9O2Si2 — CID 87795840

IUPACtrimethyl-[2-[[2-piperazin-1-yl-5-[4-(trifluoromethyl)phenyl]-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
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.C[Si](C)(C)CCOCn1c(N2CCNCC2)nc(-c2cc(F)c(F)c(F)c2)c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C32H32F9N5OSi.C26H30F6N4OSi/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;1-38(2,3)13-12-37-16-36-24(17-4-6-19(7-5-17)26(30,31)32)23(18-14-20(27)22(29)21(28)15-18)34-25(36)35-10-8-33-9-11-35/h4-10,17-18H,11-16,19H2,1-3H3;4-7,14-15,33H,8-13,16H2,1-3H3
InChIKeyYGMCUSCRJHSBAP-UHFFFAOYSA-N
MW1258.34 g/mol
LogP15.08
Rot. Bonds17

About trimethyl-[2-[[2-piperazin-1-yl-5-[4-(trifluoromethyl)phenyl]-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

trimethyl-[2-[[2-piperazin-1-yl-5-[4-(trifluoromethyl)phenyl]-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 87795840) has the molecular formula C58H62F15N9O2Si2 and a molecular weight of 1258.34 g/mol. Its IUPAC name is trimethyl-[2-[[2-piperazin-1-yl-5-[4-(trifluoromethyl)phenyl]-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.

Molecular Properties

Compound Nametrimethyl-[2-[[2-piperazin-1-yl-5-[4-(trifluoromethyl)phenyl]-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 CID87795840
Molecular FormulaC58H62F15N9O2Si2
Molecular Weight1258.34 g/mol
Exact Mass1257.43
IUPAC Nametrimethyl-[2-[[2-piperazin-1-yl-5-[4-(trifluoromethyl)phenyl]-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
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.C[Si](C)(C)CCOCn1c(N2CCNCC2)nc(-c2cc(F)c(F)c(F)c2)c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C32H32F9N5OSi.C26H30F6N4OSi/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;1-38(2,3)13-12-37-16-36-24(17-4-6-19(7-5-17)26(30,31)32)23(18-14-20(27)22(29)21(28)15-18)34-25(36)35-10-8-33-9-11-35/h4-10,17-18H,11-16,19H2,1-3H3;4-7,14-15,33H,8-13,16H2,1-3H3
InChIKeyYGMCUSCRJHSBAP-UHFFFAOYSA-N
XLogP15.08
TPSA88.74 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001258.34
LogP ≤ 515.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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-[[2-piperazin-1-yl-5-[4-(trifluoromethyl)phenyl]-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[2-piperazin-1-yl-5-[4-(trifluoromethyl)phenyl]-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?
The IUPAC name of trimethyl-[2-[[2-piperazin-1-yl-5-[4-(trifluoromethyl)phenyl]-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 (CID 87795840) is trimethyl-[2-[[2-piperazin-1-yl-5-[4-(trifluoromethyl)phenyl]-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.
What is the SMILES notation for trimethyl-[2-[[2-piperazin-1-yl-5-[4-(trifluoromethyl)phenyl]-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?
The canonical SMILES for trimethyl-[2-[[2-piperazin-1-yl-5-[4-(trifluoromethyl)phenyl]-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 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.C[Si](C)(C)CCOCn1c(N2CCNCC2)nc(-c2cc(F)c(F)c(F)c2)c1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of trimethyl-[2-[[2-piperazin-1-yl-5-[4-(trifluoromethyl)phenyl]-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?
The InChIKey is YGMCUSCRJHSBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F9N5OSi.C26H30F6N4OSi/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;1-38(2,3)13-12-37-16-36-24(17-4-6-19(7-5-17)26(30,31)32)23(18-14-20(27)22(29)21(28)15-18)34-25(36)35-10-8-33-9-11-35/h4-10,17-18H,11-16,19H2,1-3H3;4-7,14-15,33H,8-13,16H2,1-3H3.
What are the key properties of trimethyl-[2-[[2-piperazin-1-yl-5-[4-(trifluoromethyl)phenyl]-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?
trimethyl-[2-[[2-piperazin-1-yl-5-[4-(trifluoromethyl)phenyl]-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 1258.34 g/mol, XLogP of 15.08, 17 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[2-piperazin-1-yl-5-[4-(trifluoromethyl)phenyl]-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 is sourced from PubChem (CID 87795840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).