trimethyl-[2-[[2-[4-(4-methylphenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane

C27H35F3N4OSi — CID 59073926

IUPACtrimethyl-[2-[[2-[4-(4-methylphenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane
SMILESCc1ccc(N2CCN(c3nc(-c4cccc(C(F)(F)F)c4)cn3COCC[Si](C)(C)C)CC2)cc1
InChIInChI=1S/C27H35F3N4OSi/c1-21-8-10-24(11-9-21)32-12-14-33(15-13-32)26-31-25(19-34(26)20-35-16-17-36(2,3)4)22-6-5-7-23(18-22)27(28,29)30/h5-11,18-19H,12-17,20H2,1-4H3
InChIKeyUBTNTGDPVNWPEF-UHFFFAOYSA-N
MW516.68 g/mol
LogP6.52
Rot. Bonds8

About trimethyl-[2-[[2-[4-(4-methylphenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[2-[4-(4-methylphenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane (PubChem CID 59073926) has the molecular formula C27H35F3N4OSi and a molecular weight of 516.68 g/mol. Its IUPAC name is trimethyl-[2-[[2-[4-(4-methylphenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[2-[4-(4-methylphenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane
PubChem CID59073926
Molecular FormulaC27H35F3N4OSi
Molecular Weight516.68 g/mol
Exact Mass516.25
IUPAC Nametrimethyl-[2-[[2-[4-(4-methylphenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane
SMILESCc1ccc(N2CCN(c3nc(-c4cccc(C(F)(F)F)c4)cn3COCC[Si](C)(C)C)CC2)cc1
InChIInChI=1S/C27H35F3N4OSi/c1-21-8-10-24(11-9-21)32-12-14-33(15-13-32)26-31-25(19-34(26)20-35-16-17-36(2,3)4)22-6-5-7-23(18-22)27(28,29)30/h5-11,18-19H,12-17,20H2,1-4H3
InChIKeyUBTNTGDPVNWPEF-UHFFFAOYSA-N
XLogP6.52
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.68
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(3-bromophenyl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 22969432
N-methyl-N-[3-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]ethanesulfonamide
CID 22969494
1-methylsulfonyl-4-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]piperazine
CID 20595837
tert-butyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;trimethyl-[2-[[4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane
CID 90972913
ethyl 4-(3-chlorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate
CID 156643880
2-methyl-4-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine
CID 3253525
2,4-dimethyl-6-[3-(trifluoromethyl)phenyl]pyridine
CID 119015408
2-[[4,5-dibromo-2-[3-(1,1-difluoropropyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 142022669
2-[[5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 171933248
1-[3-(trifluoromethyl)phenyl]-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxymethyl]piperazine
CID 3051828
1-pentyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-amine
CID 162673974
trimethyl-[2-[[6-phosphoroso-4-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-1-ium-7-yl]methoxy]ethyl]silane
CID 175903508

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[2-[4-(4-methylphenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[2-[4-(4-methylphenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane (CID 59073926) is trimethyl-[2-[[2-[4-(4-methylphenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[2-[4-(4-methylphenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[2-[4-(4-methylphenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane is Cc1ccc(N2CCN(c3nc(-c4cccc(C(F)(F)F)c4)cn3COCC[Si](C)(C)C)CC2)cc1.
What is the InChIKey of trimethyl-[2-[[2-[4-(4-methylphenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane?
The InChIKey is UBTNTGDPVNWPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35F3N4OSi/c1-21-8-10-24(11-9-21)32-12-14-33(15-13-32)26-31-25(19-34(26)20-35-16-17-36(2,3)4)22-6-5-7-23(18-22)27(28,29)30/h5-11,18-19H,12-17,20H2,1-4H3.
What are the key properties of trimethyl-[2-[[2-[4-(4-methylphenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[2-[4-(4-methylphenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane has a molecular weight of 516.68 g/mol, XLogP of 6.52, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[2-[4-(4-methylphenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 59073926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).