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

C11H9Cl2F3N2S — CID 22155964

IUPAC2-[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl-1-methylimidazole;hydrochloride
SMILESCl.Cn1ccnc1Sc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H8ClF3N2S.ClH/c1-17-5-4-16-10(17)18-9-3-2-7(6-8(9)12)11(13,14)15;/h2-6H,1H3;1H
InChIKeyBGYIOZLXBFYTTQ-UHFFFAOYSA-N
MW329.17 g/mol
LogP4.67
Rot. Bonds2

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

2-[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl-1-methylimidazole;hydrochloride (PubChem CID 22155964) has the molecular formula C11H9Cl2F3N2S and a molecular weight of 329.17 g/mol. Its IUPAC name is 2-[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl-1-methylimidazole;hydrochloride.

Molecular Properties

Compound Name2-[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl-1-methylimidazole;hydrochloride
PubChem CID22155964
Molecular FormulaC11H9Cl2F3N2S
Molecular Weight329.17 g/mol
Exact Mass327.98
IUPAC Name2-[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl-1-methylimidazole;hydrochloride
SMILESCl.Cn1ccnc1Sc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H8ClF3N2S.ClH/c1-17-5-4-16-10(17)18-9-3-2-7(6-8(9)12)11(13,14)15;/h2-6H,1H3;1H
InChIKeyBGYIOZLXBFYTTQ-UHFFFAOYSA-N
XLogP4.67
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.17
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,4-Dichlorophenyl)methylthio]-1-methylimidazole
CID 16280550
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
2-[2-Chloro-4-(trifluoromethyl)phenyl]sulfanyl-1-methylimidazole
CID 15077512
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
1-[2-(2-Chlorophenyl)sulfanyl-2-[2-(4-fluorophenyl)ethyl]pentyl]imidazole
CID 22762871
1-[2-(2-Chlorophenyl)sulfanyl-2-methyl-4-[4-(trifluoromethyl)phenyl]butyl]imidazole
CID 22762946
1-[3-(2-Chlorophenyl)sulfanyl-4-(4-fluorophenyl)-3-methylbutyl]imidazole
CID 22762969
1-[3-(2-Chlorophenyl)sulfanyl-5-(4-fluorophenyl)-3-methylpentyl]imidazole
CID 22762993

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl-1-methylimidazole;hydrochloride?
The IUPAC name of 2-[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl-1-methylimidazole;hydrochloride (CID 22155964) is 2-[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl-1-methylimidazole;hydrochloride.
What is the SMILES notation for 2-[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl-1-methylimidazole;hydrochloride?
The canonical SMILES for 2-[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl-1-methylimidazole;hydrochloride is Cl.Cn1ccnc1Sc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl-1-methylimidazole;hydrochloride?
The InChIKey is BGYIOZLXBFYTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2S.ClH/c1-17-5-4-16-10(17)18-9-3-2-7(6-8(9)12)11(13,14)15;/h2-6H,1H3;1H.
What are the key properties of 2-[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl-1-methylimidazole;hydrochloride?
2-[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl-1-methylimidazole;hydrochloride has a molecular weight of 329.17 g/mol, XLogP of 4.67, 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;hydrochloride is sourced from PubChem (CID 22155964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).