1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]imidazole

C14H13F3N2S — CID 47138721

IUPAC1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]imidazole
SMILESFC(F)(F)c1ccccc1CSc1nccn1C1CC1
InChIInChI=1S/C14H13F3N2S/c15-14(16,17)12-4-2-1-3-10(12)9-20-13-18-7-8-19(13)11-5-6-11/h1-4,7-8,11H,5-6,9H2
InChIKeyXBMARAUONUAIBY-UHFFFAOYSA-N
MW298.33 g/mol
LogP4.53
Rot. Bonds4

About 1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]imidazole

1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]imidazole (PubChem CID 47138721) has the molecular formula C14H13F3N2S and a molecular weight of 298.33 g/mol. Its IUPAC name is 1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]imidazole.

Molecular Properties

Compound Name1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]imidazole
PubChem CID47138721
Molecular FormulaC14H13F3N2S
Molecular Weight298.33 g/mol
Exact Mass298.08
IUPAC Name1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]imidazole
SMILESFC(F)(F)c1ccccc1CSc1nccn1C1CC1
InChIInChI=1S/C14H13F3N2S/c15-14(16,17)12-4-2-1-3-10(12)9-20-13-18-7-8-19(13)11-5-6-11/h1-4,7-8,11H,5-6,9H2
InChIKeyXBMARAUONUAIBY-UHFFFAOYSA-N
XLogP4.53
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[1-(4-Fluorophenyl)ethylsulfanyl]-1-methylimidazole
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(1S,5R)-3-[3-(1-methylimidazol-2-yl)sulfanylpropyl]-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane
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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]imidazole?
The IUPAC name of 1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]imidazole (CID 47138721) is 1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]imidazole.
What is the SMILES notation for 1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]imidazole?
The canonical SMILES for 1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]imidazole is FC(F)(F)c1ccccc1CSc1nccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]imidazole?
The InChIKey is XBMARAUONUAIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2S/c15-14(16,17)12-4-2-1-3-10(12)9-20-13-18-7-8-19(13)11-5-6-11/h1-4,7-8,11H,5-6,9H2.
What are the key properties of 1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]imidazole?
1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]imidazole has a molecular weight of 298.33 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]imidazole is sourced from PubChem (CID 47138721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).