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

C21H23BrF3N3OSi — CID 22969438

IUPAC2-[[2-(5-bromo-3-pyridinyl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(-c2cccc(C(F)(F)F)c2)nc1-c1cncc(Br)c1
InChIInChI=1S/C21H23BrF3N3OSi/c1-30(2,3)8-7-29-14-28-13-19(15-5-4-6-17(9-15)21(23,24)25)27-20(28)16-10-18(22)12-26-11-16/h4-6,9-13H,7-8,14H2,1-3H3
InChIKeyVWGCPHRPTVGTJP-UHFFFAOYSA-N
MW498.42 g/mol
LogP6.71
Rot. Bonds7

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

2-[[2-(5-bromo-3-pyridinyl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 22969438) has the molecular formula C21H23BrF3N3OSi and a molecular weight of 498.42 g/mol. Its IUPAC name is 2-[[2-(5-bromo-3-pyridinyl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[2-(5-bromo-3-pyridinyl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID22969438
Molecular FormulaC21H23BrF3N3OSi
Molecular Weight498.42 g/mol
Exact Mass497.07
IUPAC Name2-[[2-(5-bromo-3-pyridinyl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(-c2cccc(C(F)(F)F)c2)nc1-c1cncc(Br)c1
InChIInChI=1S/C21H23BrF3N3OSi/c1-30(2,3)8-7-29-14-28-13-19(15-5-4-6-17(9-15)21(23,24)25)27-20(28)16-10-18(22)12-26-11-16/h4-6,9-13H,7-8,14H2,1-3H3
InChIKeyVWGCPHRPTVGTJP-UHFFFAOYSA-N
XLogP6.71
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.42
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[2-(5-bromo-3-pyridinyl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane with MolForge

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

Launch Full Analysis

Related Compounds

5-[(4-Bromophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine
CID 10477893
1-(3-Morpholinopropyl)-4-[3-(trifluoromethyl)phenyl]-5-(4-pyridyl)-1H-imidazole
CID 10525956
4-[3-(3-Ethoxypropyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine
CID 10544044
4-(3-(1-isopropyl-4-(3-(trifluoromethyl)phenyl)-1H-imidazol-2-yl)benzyl)morpholine
CID 53321340
2-bromo-5-[4-(trifluoromethyl)-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-imidazol-2-yl]pyridine
CID 86698175
6-Bromo-3-(2,2-dimethylpropyl)-2-phenylimidazo[1,2-a]pyridine
CID 46904896
6-Bromo-3-(2,2-dimethylpropyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine
CID 46904898
6-Bromo-8-methyl-2-propyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine
CID 51360011
3-Benzyl-6-bromo-2-propylimidazo[1,2-a]pyridine
CID 51360055
1-(3-Morpholinopropyl)-4-[3,5-bis(trifluoromethyl)phenyl]-5-(4-pyridyl)-1H-imidazole
CID 10600891
6-Bromo-3-[(3-fluorophenyl)methyl]-8-methyl-2-propylimidazo[1,2-a]pyridine
CID 51359975
(E)-1-[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-prop-2-ynoxymethanimine
CID 71625476

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-bromo-3-pyridinyl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[2-(5-bromo-3-pyridinyl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 22969438) is 2-[[2-(5-bromo-3-pyridinyl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[2-(5-bromo-3-pyridinyl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[2-(5-bromo-3-pyridinyl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cc(-c2cccc(C(F)(F)F)c2)nc1-c1cncc(Br)c1.
What is the InChIKey of 2-[[2-(5-bromo-3-pyridinyl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is VWGCPHRPTVGTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrF3N3OSi/c1-30(2,3)8-7-29-14-28-13-19(15-5-4-6-17(9-15)21(23,24)25)27-20(28)16-10-18(22)12-26-11-16/h4-6,9-13H,7-8,14H2,1-3H3.
What are the key properties of 2-[[2-(5-bromo-3-pyridinyl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[2-(5-bromo-3-pyridinyl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 498.42 g/mol, XLogP of 6.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-bromo-3-pyridinyl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 22969438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).