2-(4-chloro-3-methylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole

C18H14ClF3N2O2S — CID 10669511

IUPAC2-(4-chloro-3-methylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole
SMILESCc1cc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)ccc1Cl
InChIInChI=1S/C18H14ClF3N2O2S/c1-11-9-12(3-8-15(11)19)17-23-16(18(20,21)22)10-24(17)13-4-6-14(7-5-13)27(2,25)26/h3-10H,1-2H3
InChIKeyDZZRVNYSBGNSMV-UHFFFAOYSA-N
MW414.84 g/mol
LogP4.92
Rot. Bonds3

About 2-(4-chloro-3-methylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole

2-(4-chloro-3-methylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole (PubChem CID 10669511) has the molecular formula C18H14ClF3N2O2S and a molecular weight of 414.84 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole
PubChem CID10669511
Molecular FormulaC18H14ClF3N2O2S
Molecular Weight414.84 g/mol
Exact Mass414.04
IUPAC Name2-(4-chloro-3-methylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole
SMILESCc1cc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)ccc1Cl
InChIInChI=1S/C18H14ClF3N2O2S/c1-11-9-12(3-8-15(11)19)17-23-16(18(20,21)22)10-24(17)13-4-6-14(7-5-13)27(2,25)26/h3-10H,1-2H3
InChIKeyDZZRVNYSBGNSMV-UHFFFAOYSA-N
XLogP4.92
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.84
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Chlorophenyl)-4-methyl-1-(4-(methylsulfonyl)phenyl)-1H-imidazole
CID 9946200
3-(4-Chloro-phenyl)-1-(4-difluoromethylsulfanyl-phenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
CID 12005569
4-[2-(3-Chloro-phenyl)-4-trifluoromethyl-imidazol-1-yl]-benzenesulfonamide
CID 9801204
2-(3-Chloro-phenyl)-1-(4-methanesulfonyl-phenyl)-4-trifluoromethyl-1H-imidazole
CID 9822332
3-[1-[4-(methylsulfonyl)phenyl]-4-trifluoromethyl-1H-imidazol-2-yl]pyridine
CID 9929140
1-(4-(methylsulfonyl)phenyl]-2-phenyl-4-trifluoromethyl-1H-imidazole
CID 9947305
2-[1-[4-(methylsulfonyl)phenyl]-4-trifluoromethyl-1H-imidazol-2-yl]pyridine
CID 9947371
4-Chloro-5-(4-isopropyl-phenyl)-1-(4-methanesulfonyl-phenyl)-1H-imidazole
CID 10109982
1-(4-Methanesulfonyl-phenyl)-2-m-tolyl-4-trifluoromethyl-1H-imidazole
CID 10110298
4-Chloro-5-(3,5-difluoro-phenyl)-1-(4-methanesulfonyl-phenyl)-1H-imidazole
CID 10133653
4-(2-p-Tolyl-4-trifluoromethyl-imidazol-1-yl)-benzenesulfonamide
CID 10134425
4-(2-m-Tolyl-4-trifluoromethyl-imidazol-1-yl)-benzenesulfonamide
CID 10134426

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole?
The IUPAC name of 2-(4-chloro-3-methylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole (CID 10669511) is 2-(4-chloro-3-methylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 2-(4-chloro-3-methylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole?
The canonical SMILES for 2-(4-chloro-3-methylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole is Cc1cc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole?
The InChIKey is DZZRVNYSBGNSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N2O2S/c1-11-9-12(3-8-15(11)19)17-23-16(18(20,21)22)10-24(17)13-4-6-14(7-5-13)27(2,25)26/h3-10H,1-2H3.
What are the key properties of 2-(4-chloro-3-methylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole?
2-(4-chloro-3-methylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole has a molecular weight of 414.84 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 10669511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).