2-[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl-1-methylimidazole

C11H8ClF3N2S — CID 15077512

IUPAC2-[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl-1-methylimidazole
SMILESCn1ccnc1Sc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H8ClF3N2S/c1-17-5-4-16-10(17)18-9-3-2-7(6-8(9)12)11(13,14)15/h2-6H,1H3
InChIKeyFWXCYFBTDRLMET-UHFFFAOYSA-N
MW292.71 g/mol
LogP4.24
Rot. Bonds2

About 2-[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl-1-methylimidazole

2-[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl-1-methylimidazole (PubChem CID 15077512) has the molecular formula C11H8ClF3N2S and a molecular weight of 292.71 g/mol. Its IUPAC name is 2-[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl-1-methylimidazole.

Molecular Properties

Compound Name2-[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl-1-methylimidazole
PubChem CID15077512
Molecular FormulaC11H8ClF3N2S
Molecular Weight292.71 g/mol
Exact Mass292.00
IUPAC Name2-[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl-1-methylimidazole
SMILESCn1ccnc1Sc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H8ClF3N2S/c1-17-5-4-16-10(17)18-9-3-2-7(6-8(9)12)11(13,14)15/h2-6H,1H3
InChIKeyFWXCYFBTDRLMET-UHFFFAOYSA-N
XLogP4.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.71
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(E)-3-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)sulfanylprop-2-enylidene]propanedinitrile
CID 736814
2-[3-(4-Chloro-phenyl)-3-(1-methyl-1H-imidazol-2-ylsulfanyl)-allylidene]-malonitrile
CID 5473150
2-[3-(4-Chlorophenyl)-3-(1-methylimidazol-2-yl)sulfanylprop-2-enylidene]propanedinitrile
CID 406232
2-{[(4-chlorophenyl)methyl]sulfanyl}-1-methyl-1H-imidazole
CID 4550698
1-Methyl-2-(4-methylphenyl)sulfanylimidazole
CID 11333187
1-Methyl-2-[4-(trifluoromethyl)phenyl]sulfanylimidazole
CID 15077504
1-[4-(4-Chlorophenyl)-2-[4-(trifluoromethyl)phenyl]sulfanylbutyl]imidazole
CID 20365259
1-[3-(4-Chlorophenyl)-3-[4-(trifluoromethyl)phenyl]sulfanylpropyl]imidazole
CID 20365425
2-[2-Chloro-4-(trifluoromethyl)phenyl]sulfanyl-1-methylimidazole;hydrochloride
CID 22155964
1-Methyl-2-[4-(trifluoromethyl)phenyl]sulfanylimidazole;hydrochloride
CID 22155978
1-[4-(4-Chlorophenyl)-2-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylbutyl]imidazole
CID 22762836
1-[2-(2-Chlorophenyl)sulfanyl-5-(4-fluorophenyl)-2-methylpentyl]imidazole
CID 22762868

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl-1-methylimidazole?
The IUPAC name of 2-[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl-1-methylimidazole (CID 15077512) is 2-[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl-1-methylimidazole.
What is the SMILES notation for 2-[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl-1-methylimidazole?
The canonical SMILES for 2-[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl-1-methylimidazole is Cn1ccnc1Sc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl-1-methylimidazole?
The InChIKey is FWXCYFBTDRLMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2S/c1-17-5-4-16-10(17)18-9-3-2-7(6-8(9)12)11(13,14)15/h2-6H,1H3.
What are the key properties of 2-[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl-1-methylimidazole?
2-[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl-1-methylimidazole has a molecular weight of 292.71 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl-1-methylimidazole is sourced from PubChem (CID 15077512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).