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

C49H50F6N6O5SSi — CID 160739049

IUPACbenzyl 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
SMILESCCS(=O)(=O)N(C)c1cccc(-c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)c1.C[Si](C)(C)CCOCn1cc(-c2cccc(C(F)(F)F)c2)nc1-c1cccc(NC(=O)OCc2ccccc2)c1
InChIInChI=1S/C30H32F3N3O3Si.C19H18F3N3O2S/c1-40(2,3)16-15-38-21-36-19-27(23-11-7-13-25(17-23)30(31,32)33)35-28(36)24-12-8-14-26(18-24)34-29(37)39-20-22-9-5-4-6-10-22;1-3-28(26,27)25(2)16-9-5-7-14(11-16)18-23-12-17(24-18)13-6-4-8-15(10-13)19(20,21)22/h4-14,17-19H,15-16,20-21H2,1-3H3,(H,34,37);4-12H,3H2,1-2H3,(H,23,24)
InChIKeyRVIFYFHEMCCHTB-UHFFFAOYSA-N
MW977.12 g/mol
LogP12.85
Rot. Bonds15

About 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

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 (PubChem CID 160739049) has the molecular formula C49H50F6N6O5SSi and a molecular weight of 977.12 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebenzyl 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
PubChem CID160739049
Molecular FormulaC49H50F6N6O5SSi
Molecular Weight977.12 g/mol
Exact Mass976.32
IUPAC Namebenzyl 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
SMILESCCS(=O)(=O)N(C)c1cccc(-c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)c1.C[Si](C)(C)CCOCn1cc(-c2cccc(C(F)(F)F)c2)nc1-c1cccc(NC(=O)OCc2ccccc2)c1
InChIInChI=1S/C30H32F3N3O3Si.C19H18F3N3O2S/c1-40(2,3)16-15-38-21-36-19-27(23-11-7-13-25(17-23)30(31,32)33)35-28(36)24-12-8-14-26(18-24)34-29(37)39-20-22-9-5-4-6-10-22;1-3-28(26,27)25(2)16-9-5-7-14(11-16)18-23-12-17(24-18)13-6-4-8-15(10-13)19(20,21)22/h4-14,17-19H,15-16,20-21H2,1-3H3,(H,34,37);4-12H,3H2,1-2H3,(H,23,24)
InChIKeyRVIFYFHEMCCHTB-UHFFFAOYSA-N
XLogP12.85
TPSA131.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500977.12
LogP ≤ 512.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

N-methyl-N-[3-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]ethanesulfonamide
CID 22969494
2-[[2-(3-bromophenyl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 22969432
benzyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 5201332
trimethyl-[2-[[2-[4-(4-methylphenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane
CID 59073926
benzyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate
CID 110643709
ethyl 4-(3-chlorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate
CID 156643880
1-[3-[8-(benzylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 46878646
(4S)-5-oxo-4-(phenylmethoxycarbonylamino)-5-[3-(trifluoromethyl)anilino]pentanoic acid
CID 146629247
N-methyl-N-[5-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]-3-pyridinyl]methanesulfonamide
CID 20595893
1-(1,3-oxazol-4-yl)-2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]ethanone
CID 158159036
ethyl N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate
CID 129315588
benzyl N-[3-[1-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]triazol-4-yl]phenyl]carbamate
CID 90205202

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCS(=O)(=O)N(C)c1cccc(-c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)c1.C[Si](C)(C)CCOCn1cc(-c2cccc(C(F)(F)F)c2)nc1-c1cccc(NC(=O)OCc2ccccc2)c1.
What is the InChIKey of 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?
The InChIKey is RVIFYFHEMCCHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F3N3O3Si.C19H18F3N3O2S/c1-40(2,3)16-15-38-21-36-19-27(23-11-7-13-25(17-23)30(31,32)33)35-28(36)24-12-8-14-26(18-24)34-29(37)39-20-22-9-5-4-6-10-22;1-3-28(26,27)25(2)16-9-5-7-14(11-16)18-23-12-17(24-18)13-6-4-8-15(10-13)19(20,21)22/h4-14,17-19H,15-16,20-21H2,1-3H3,(H,34,37);4-12H,3H2,1-2H3,(H,23,24).
What are the key properties of 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?
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 has a molecular weight of 977.12 g/mol, XLogP of 12.85, 15 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160739049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).