2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrobromide

C11H12BrF3N2S — CID 71779066

IUPAC2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrobromide
SMILESBr.FC(F)(F)c1ccc(CSC2=NCCN2)cc1
InChIInChI=1S/C11H11F3N2S.BrH/c12-11(13,14)9-3-1-8(2-4-9)7-17-10-15-5-6-16-10;/h1-4H,5-7H2,(H,15,16);1H
InChIKeyQTODDRXADKYOEU-UHFFFAOYSA-N
MW341.20 g/mol
LogP3.48
Rot. Bonds2

About 2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrobromide

2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrobromide (PubChem CID 71779066) has the molecular formula C11H12BrF3N2S and a molecular weight of 341.20 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrobromide.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrobromide
PubChem CID71779066
Molecular FormulaC11H12BrF3N2S
Molecular Weight341.20 g/mol
Exact Mass339.99
IUPAC Name2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrobromide
SMILESBr.FC(F)(F)c1ccc(CSC2=NCCN2)cc1
InChIInChI=1S/C11H11F3N2S.BrH/c12-11(13,14)9-3-1-8(2-4-9)7-17-10-15-5-6-16-10;/h1-4H,5-7H2,(H,15,16);1H
InChIKeyQTODDRXADKYOEU-UHFFFAOYSA-N
XLogP3.48
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylphenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidine;hydrochloride
CID 75358330
2-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole
CID 843833
4-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-2-nitrophenolate
CID 7244817
2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1H-benzimidazole
CID 11822979
1-methyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]imidazole
CID 47124411
4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]piperidine
CID 20613879
(4R,5S)-4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride
CID 68568452
3-methyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine
CID 134097269
2-ethylsulfanyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazole
CID 47124469
[4-(trifluoromethyl)phenyl]methylsulfanylmethanethiol
CID 170066033
3-tert-butyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-4-amine
CID 35520319
2-[(4-bromophenyl)methylsulfanyl]-6-(trifluoromethyl)-1H-benzimidazole;hydrobromide
CID 2798753

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrobromide?
The IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrobromide (CID 71779066) is 2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrobromide.
What is the SMILES notation for 2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrobromide?
The canonical SMILES for 2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrobromide is Br.FC(F)(F)c1ccc(CSC2=NCCN2)cc1.
What is the InChIKey of 2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrobromide?
The InChIKey is QTODDRXADKYOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2S.BrH/c12-11(13,14)9-3-1-8(2-4-9)7-17-10-15-5-6-16-10;/h1-4H,5-7H2,(H,15,16);1H.
What are the key properties of 2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrobromide?
2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrobromide has a molecular weight of 341.20 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrobromide is sourced from PubChem (CID 71779066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).