6-bromo-2-[(5-fluoro-2-methoxyphenyl)-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-3H-isoindol-1-one

C26H28BrF4N3O3Si — CID 164883978

IUPAC6-bromo-2-[(5-fluoro-2-methoxyphenyl)-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-3H-isoindol-1-one
SMILESCOc1ccc(F)cc1C(c1ncc(C(F)(F)F)n1COCC[Si](C)(C)C)N1Cc2ccc(Br)cc2C1=O
InChIInChI=1S/C26H28BrF4N3O3Si/c1-36-21-8-7-18(28)12-20(21)23(33-14-16-5-6-17(27)11-19(16)25(33)35)24-32-13-22(26(29,30)31)34(24)15-37-9-10-38(2,3)4/h5-8,11-13,23H,9-10,14-15H2,1-4H3
InChIKeyFKGGKFNOLYMVTP-UHFFFAOYSA-N
MW614.51 g/mol
LogP6.87
Rot. Bonds9

About 6-bromo-2-[(5-fluoro-2-methoxyphenyl)-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-3H-isoindol-1-one

6-bromo-2-[(5-fluoro-2-methoxyphenyl)-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-3H-isoindol-1-one (PubChem CID 164883978) has the molecular formula C26H28BrF4N3O3Si and a molecular weight of 614.51 g/mol. Its IUPAC name is 6-bromo-2-[(5-fluoro-2-methoxyphenyl)-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name6-bromo-2-[(5-fluoro-2-methoxyphenyl)-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-3H-isoindol-1-one
PubChem CID164883978
Molecular FormulaC26H28BrF4N3O3Si
Molecular Weight614.51 g/mol
Exact Mass613.10
IUPAC Name6-bromo-2-[(5-fluoro-2-methoxyphenyl)-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-3H-isoindol-1-one
SMILESCOc1ccc(F)cc1C(c1ncc(C(F)(F)F)n1COCC[Si](C)(C)C)N1Cc2ccc(Br)cc2C1=O
InChIInChI=1S/C26H28BrF4N3O3Si/c1-36-21-8-7-18(28)12-20(21)23(33-14-16-5-6-17(27)11-19(16)25(33)35)24-32-13-22(26(29,30)31)34(24)15-37-9-10-38(2,3)4/h5-8,11-13,23H,9-10,14-15H2,1-4H3
InChIKeyFKGGKFNOLYMVTP-UHFFFAOYSA-N
XLogP6.87
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.51
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-bromo-2-[(5-fluoro-2-methoxyphenyl)-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-3H-isoindol-1-one 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 6-bromo-2-[(5-fluoro-2-methoxyphenyl)-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-3H-isoindol-1-one?
The IUPAC name of 6-bromo-2-[(5-fluoro-2-methoxyphenyl)-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-3H-isoindol-1-one (CID 164883978) is 6-bromo-2-[(5-fluoro-2-methoxyphenyl)-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-3H-isoindol-1-one.
What is the SMILES notation for 6-bromo-2-[(5-fluoro-2-methoxyphenyl)-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-3H-isoindol-1-one?
The canonical SMILES for 6-bromo-2-[(5-fluoro-2-methoxyphenyl)-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-3H-isoindol-1-one is COc1ccc(F)cc1C(c1ncc(C(F)(F)F)n1COCC[Si](C)(C)C)N1Cc2ccc(Br)cc2C1=O.
What is the InChIKey of 6-bromo-2-[(5-fluoro-2-methoxyphenyl)-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-3H-isoindol-1-one?
The InChIKey is FKGGKFNOLYMVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28BrF4N3O3Si/c1-36-21-8-7-18(28)12-20(21)23(33-14-16-5-6-17(27)11-19(16)25(33)35)24-32-13-22(26(29,30)31)34(24)15-37-9-10-38(2,3)4/h5-8,11-13,23H,9-10,14-15H2,1-4H3.
What are the key properties of 6-bromo-2-[(5-fluoro-2-methoxyphenyl)-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-3H-isoindol-1-one?
6-bromo-2-[(5-fluoro-2-methoxyphenyl)-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-3H-isoindol-1-one has a molecular weight of 614.51 g/mol, XLogP of 6.87, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[(5-fluoro-2-methoxyphenyl)-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-3H-isoindol-1-one is sourced from PubChem (CID 164883978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).