[3-methyl-2-[2-(trifluoromethoxy)ethylsulfanyl]imidazol-4-yl]methanol

C8H11F3N2O2S — CID 66149434

IUPAC[3-methyl-2-[2-(trifluoromethoxy)ethylsulfanyl]imidazol-4-yl]methanol
SMILESCn1c(CO)cnc1SCCOC(F)(F)F
InChIInChI=1S/C8H11F3N2O2S/c1-13-6(5-14)4-12-7(13)16-3-2-15-8(9,10)11/h4,14H,2-3,5H2,1H3
InChIKeyYLKJGUFUOJBVKV-UHFFFAOYSA-N
MW256.25 g/mol
LogP1.54
Rot. Bonds5

About [3-methyl-2-[2-(trifluoromethoxy)ethylsulfanyl]imidazol-4-yl]methanol

[3-methyl-2-[2-(trifluoromethoxy)ethylsulfanyl]imidazol-4-yl]methanol (PubChem CID 66149434) has the molecular formula C8H11F3N2O2S and a molecular weight of 256.25 g/mol. Its IUPAC name is [3-methyl-2-[2-(trifluoromethoxy)ethylsulfanyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-methyl-2-[2-(trifluoromethoxy)ethylsulfanyl]imidazol-4-yl]methanol
PubChem CID66149434
Molecular FormulaC8H11F3N2O2S
Molecular Weight256.25 g/mol
Exact Mass256.05
IUPAC Name[3-methyl-2-[2-(trifluoromethoxy)ethylsulfanyl]imidazol-4-yl]methanol
SMILESCn1c(CO)cnc1SCCOC(F)(F)F
InChIInChI=1S/C8H11F3N2O2S/c1-13-6(5-14)4-12-7(13)16-3-2-15-8(9,10)11/h4,14H,2-3,5H2,1H3
InChIKeyYLKJGUFUOJBVKV-UHFFFAOYSA-N
XLogP1.54
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-[2-(trifluoromethoxy)ethylsulfanyl]imidazol-4-yl]methanol?
The IUPAC name of [3-methyl-2-[2-(trifluoromethoxy)ethylsulfanyl]imidazol-4-yl]methanol (CID 66149434) is [3-methyl-2-[2-(trifluoromethoxy)ethylsulfanyl]imidazol-4-yl]methanol.
What is the SMILES notation for [3-methyl-2-[2-(trifluoromethoxy)ethylsulfanyl]imidazol-4-yl]methanol?
The canonical SMILES for [3-methyl-2-[2-(trifluoromethoxy)ethylsulfanyl]imidazol-4-yl]methanol is Cn1c(CO)cnc1SCCOC(F)(F)F.
What is the InChIKey of [3-methyl-2-[2-(trifluoromethoxy)ethylsulfanyl]imidazol-4-yl]methanol?
The InChIKey is YLKJGUFUOJBVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O2S/c1-13-6(5-14)4-12-7(13)16-3-2-15-8(9,10)11/h4,14H,2-3,5H2,1H3.
What are the key properties of [3-methyl-2-[2-(trifluoromethoxy)ethylsulfanyl]imidazol-4-yl]methanol?
[3-methyl-2-[2-(trifluoromethoxy)ethylsulfanyl]imidazol-4-yl]methanol has a molecular weight of 256.25 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-[2-(trifluoromethoxy)ethylsulfanyl]imidazol-4-yl]methanol is sourced from PubChem (CID 66149434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).