1-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylimidazole

C11H9F3N2S — CID 15077504

IUPAC1-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylimidazole
SMILESCn1ccnc1Sc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H9F3N2S/c1-16-7-6-15-10(16)17-9-4-2-8(3-5-9)11(12,13)14/h2-7H,1H3
InChIKeyFNGZOZLBJSYTMG-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.59
Rot. Bonds2

About 1-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylimidazole

1-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylimidazole (PubChem CID 15077504) has the molecular formula C11H9F3N2S and a molecular weight of 258.27 g/mol. Its IUPAC name is 1-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylimidazole.

Molecular Properties

Compound Name1-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylimidazole
PubChem CID15077504
Molecular FormulaC11H9F3N2S
Molecular Weight258.27 g/mol
Exact Mass258.04
IUPAC Name1-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylimidazole
SMILESCn1ccnc1Sc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H9F3N2S/c1-16-7-6-15-10(16)17-9-4-2-8(3-5-9)11(12,13)14/h2-7H,1H3
InChIKeyFNGZOZLBJSYTMG-UHFFFAOYSA-N
XLogP3.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylimidazole?
The IUPAC name of 1-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylimidazole (CID 15077504) is 1-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylimidazole.
What is the SMILES notation for 1-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylimidazole?
The canonical SMILES for 1-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylimidazole is Cn1ccnc1Sc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylimidazole?
The InChIKey is FNGZOZLBJSYTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2S/c1-16-7-6-15-10(16)17-9-4-2-8(3-5-9)11(12,13)14/h2-7H,1H3.
What are the key properties of 1-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylimidazole?
1-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylimidazole has a molecular weight of 258.27 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylimidazole is sourced from PubChem (CID 15077504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).