2-methylsulfonyl-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazole

C12H11F3N2O3S — CID 175147349

IUPAC2-methylsulfonyl-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazole
SMILESCS(=O)(=O)c1nccn1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H11F3N2O3S/c1-21(18,19)11-16-6-7-17(11)8-9-2-4-10(5-3-9)20-12(13,14)15/h2-7H,8H2,1H3
InChIKeyWXXVZAXETOSWGT-UHFFFAOYSA-N
MW320.29 g/mol
LogP2.23
Rot. Bonds4

About 2-methylsulfonyl-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazole

2-methylsulfonyl-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazole (PubChem CID 175147349) has the molecular formula C12H11F3N2O3S and a molecular weight of 320.29 g/mol. Its IUPAC name is 2-methylsulfonyl-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazole.

Molecular Properties

Compound Name2-methylsulfonyl-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazole
PubChem CID175147349
Molecular FormulaC12H11F3N2O3S
Molecular Weight320.29 g/mol
Exact Mass320.04
IUPAC Name2-methylsulfonyl-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazole
SMILESCS(=O)(=O)c1nccn1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H11F3N2O3S/c1-21(18,19)11-16-6-7-17(11)8-9-2-4-10(5-3-9)20-12(13,14)15/h2-7H,8H2,1H3
InChIKeyWXXVZAXETOSWGT-UHFFFAOYSA-N
XLogP2.23
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.29
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[1-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-2-yl]methanamine
CID 62221603
1-ethyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-2-one
CID 116624187
1-[(2-chlorophenyl)methyl]-2-methylsulfonylimidazole
CID 94696998
1-[[4-(trifluoromethoxy)phenyl]methyl]-1,2,4-triazole-3-carboxylic acid
CID 164835673
4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one
CID 115614090
[4-(trifluoromethoxy)phenyl]methyl methanesulfonate
CID 21265728
1-[[4-(trifluoromethoxy)phenyl]methyl]-1,2,4-triazole-3-carbothioamide
CID 62949802
[4-[4-(trifluoromethoxy)phenoxy]phenyl]methanesulfonamide
CID 91020906
N-[(4-fluorophenyl)methyl]-N-methyl-2-(2-methylsulfonylimidazol-1-yl)ethanamine
CID 86791784
2-(1-ethylimidazol-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 105009337
4-[(2-methylimidazol-1-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine
CID 90494818
N-methyl-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide
CID 145265613

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazole?
The IUPAC name of 2-methylsulfonyl-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazole (CID 175147349) is 2-methylsulfonyl-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazole.
What is the SMILES notation for 2-methylsulfonyl-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazole?
The canonical SMILES for 2-methylsulfonyl-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazole is CS(=O)(=O)c1nccn1Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-methylsulfonyl-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazole?
The InChIKey is WXXVZAXETOSWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O3S/c1-21(18,19)11-16-6-7-17(11)8-9-2-4-10(5-3-9)20-12(13,14)15/h2-7H,8H2,1H3.
What are the key properties of 2-methylsulfonyl-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazole?
2-methylsulfonyl-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazole has a molecular weight of 320.29 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazole is sourced from PubChem (CID 175147349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).