1-methyl-2-propan-2-yl-5-(trifluoromethylsulfanyl)imidazole

C8H11F3N2S — CID 144946164

IUPAC1-methyl-2-propan-2-yl-5-(trifluoromethylsulfanyl)imidazole
SMILESCC(C)c1ncc(SC(F)(F)F)n1C
InChIInChI=1S/C8H11F3N2S/c1-5(2)7-12-4-6(13(7)3)14-8(9,10)11/h4-5H,1-3H3
InChIKeySOAAFZSMTNNWAQ-UHFFFAOYSA-N
MW224.25 g/mol
LogP3.16
Rot. Bonds2

About 1-methyl-2-propan-2-yl-5-(trifluoromethylsulfanyl)imidazole

1-methyl-2-propan-2-yl-5-(trifluoromethylsulfanyl)imidazole (PubChem CID 144946164) has the molecular formula C8H11F3N2S and a molecular weight of 224.25 g/mol. Its IUPAC name is 1-methyl-2-propan-2-yl-5-(trifluoromethylsulfanyl)imidazole.

Molecular Properties

Compound Name1-methyl-2-propan-2-yl-5-(trifluoromethylsulfanyl)imidazole
PubChem CID144946164
Molecular FormulaC8H11F3N2S
Molecular Weight224.25 g/mol
Exact Mass224.06
IUPAC Name1-methyl-2-propan-2-yl-5-(trifluoromethylsulfanyl)imidazole
SMILESCC(C)c1ncc(SC(F)(F)F)n1C
InChIInChI=1S/C8H11F3N2S/c1-5(2)7-12-4-6(13(7)3)14-8(9,10)11/h4-5H,1-3H3
InChIKeySOAAFZSMTNNWAQ-UHFFFAOYSA-N
XLogP3.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5H-Pyrrolo(1,2-a)imidazolium, 6,7-dihydro-1-methyl-2-(methylthio)-, iodide
CID 659020
5H-Pyrrolo(1,2-a)imidazole, 6,7-dihydro-2-(methylthio)-
CID 3080453
1,2-Dimethyl-5-methylsulfanyl-1h-imidazole
CID 10844489
1-methyl-2-(methylsulfanyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
CID 659021
1,2-Dimethyl-4-(trifluoromethylsulfanyl)imidazole
CID 12255771
1,2-Dimethyl-5-(trifluoromethylsulfanyl)imidazole
CID 21852995
1-(Difluoromethyl)-2-propan-2-ylimidazole
CID 64150743
2-Propan-2-yl-1-(2,2,2-trifluoroethyl)imidazole
CID 64151347
1-(2,2-Difluoroethyl)-2-propan-2-ylimidazole
CID 64153350
2-Propan-2-yl-1-(3,3,3-trifluoropropyl)imidazole
CID 64565963
2-Ethyl-1-methyl-4-(trifluoromethylsulfanyl)imidazole
CID 144946193
1-(2,2-Difluoropropyl)-2-propan-2-ylimidazole
CID 153583094

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propan-2-yl-5-(trifluoromethylsulfanyl)imidazole?
The IUPAC name of 1-methyl-2-propan-2-yl-5-(trifluoromethylsulfanyl)imidazole (CID 144946164) is 1-methyl-2-propan-2-yl-5-(trifluoromethylsulfanyl)imidazole.
What is the SMILES notation for 1-methyl-2-propan-2-yl-5-(trifluoromethylsulfanyl)imidazole?
The canonical SMILES for 1-methyl-2-propan-2-yl-5-(trifluoromethylsulfanyl)imidazole is CC(C)c1ncc(SC(F)(F)F)n1C.
What is the InChIKey of 1-methyl-2-propan-2-yl-5-(trifluoromethylsulfanyl)imidazole?
The InChIKey is SOAAFZSMTNNWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2S/c1-5(2)7-12-4-6(13(7)3)14-8(9,10)11/h4-5H,1-3H3.
What are the key properties of 1-methyl-2-propan-2-yl-5-(trifluoromethylsulfanyl)imidazole?
1-methyl-2-propan-2-yl-5-(trifluoromethylsulfanyl)imidazole has a molecular weight of 224.25 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propan-2-yl-5-(trifluoromethylsulfanyl)imidazole is sourced from PubChem (CID 144946164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).