N-methyl-N-[3-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]ethanesulfonamide

C25H32F3N3O3SSi — CID 22969494

IUPACN-methyl-N-[3-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(C)c1cccc(-c2nc(-c3cccc(C(F)(F)F)c3)cn2COCC[Si](C)(C)C)c1
InChIInChI=1S/C25H32F3N3O3SSi/c1-6-35(32,33)30(2)22-12-8-10-20(16-22)24-29-23(17-31(24)18-34-13-14-36(3,4)5)19-9-7-11-21(15-19)25(26,27)28/h7-12,15-17H,6,13-14,18H2,1-5H3
InChIKeyIAJRPBYFXVXGEF-UHFFFAOYSA-N
MW539.70 g/mol
LogP6.33
Rot. Bonds10

About N-methyl-N-[3-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]ethanesulfonamide

N-methyl-N-[3-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]ethanesulfonamide (PubChem CID 22969494) has the molecular formula C25H32F3N3O3SSi and a molecular weight of 539.70 g/mol. Its IUPAC name is N-methyl-N-[3-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[3-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]ethanesulfonamide
PubChem CID22969494
Molecular FormulaC25H32F3N3O3SSi
Molecular Weight539.70 g/mol
Exact Mass539.19
IUPAC NameN-methyl-N-[3-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(C)c1cccc(-c2nc(-c3cccc(C(F)(F)F)c3)cn2COCC[Si](C)(C)C)c1
InChIInChI=1S/C25H32F3N3O3SSi/c1-6-35(32,33)30(2)22-12-8-10-20(16-22)24-29-23(17-31(24)18-34-13-14-36(3,4)5)19-9-7-11-21(15-19)25(26,27)28/h7-12,15-17H,6,13-14,18H2,1-5H3
InChIKeyIAJRPBYFXVXGEF-UHFFFAOYSA-N
XLogP6.33
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.70
LogP ≤ 56.33
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'}

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Related Compounds

2-[[2-(3-bromophenyl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 22969432
benzyl N-[3-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]carbamate;N-methyl-N-[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]ethanesulfonamide
CID 160739049
trimethyl-[2-[[2-[4-(4-methylphenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane
CID 59073926
N-methyl-N-[5-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]-3-pyridinyl]methanesulfonamide
CID 20595893
ethyl 4-(3-chlorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate
CID 156643880
1-pentyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-amine
CID 162673974
2-[[4,5-dibromo-2-[3-(1,1-difluoropropyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 142022669
1-ethyl-2-[3-[1-ethyl-4-(4-methoxyphenyl)imidazol-2-yl]phenyl]-4-(4-methoxyphenyl)imidazole
CID 118529894
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
4-(4-phenylphenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde
CID 141048810
8-[4-[3-(4-fluorocyclohexa-2,4-dien-1-yl)prop-2-ynoxy]phenyl]-1-propyl-2-[3-(trifluoromethyl)phenyl]-7-(2-trimethylsilylethoxymethyl)purin-6-one
CID 91350536
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 N-methyl-N-[3-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]ethanesulfonamide?
The IUPAC name of N-methyl-N-[3-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]ethanesulfonamide (CID 22969494) is N-methyl-N-[3-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-methyl-N-[3-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]ethanesulfonamide?
The canonical SMILES for N-methyl-N-[3-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]ethanesulfonamide is CCS(=O)(=O)N(C)c1cccc(-c2nc(-c3cccc(C(F)(F)F)c3)cn2COCC[Si](C)(C)C)c1.
What is the InChIKey of N-methyl-N-[3-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]ethanesulfonamide?
The InChIKey is IAJRPBYFXVXGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F3N3O3SSi/c1-6-35(32,33)30(2)22-12-8-10-20(16-22)24-29-23(17-31(24)18-34-13-14-36(3,4)5)19-9-7-11-21(15-19)25(26,27)28/h7-12,15-17H,6,13-14,18H2,1-5H3.
What are the key properties of N-methyl-N-[3-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]ethanesulfonamide?
N-methyl-N-[3-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]ethanesulfonamide has a molecular weight of 539.70 g/mol, XLogP of 6.33, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]ethanesulfonamide is sourced from PubChem (CID 22969494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).