2-(2-fluorophenyl)sulfanyl-1-methylimidazole

C10H9FN2S — CID 91422235

IUPAC2-(2-fluorophenyl)sulfanyl-1-methylimidazole
SMILESCn1ccnc1Sc1ccccc1F
InChIInChI=1S/C10H9FN2S/c1-13-7-6-12-10(13)14-9-5-3-2-4-8(9)11/h2-7H,1H3
InChIKeyNSAZAIBOOYQVMV-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.71
Rot. Bonds2

About 2-(2-fluorophenyl)sulfanyl-1-methylimidazole

2-(2-fluorophenyl)sulfanyl-1-methylimidazole (PubChem CID 91422235) has the molecular formula C10H9FN2S and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-1-methylimidazole.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-1-methylimidazole
PubChem CID91422235
Molecular FormulaC10H9FN2S
Molecular Weight208.26 g/mol
Exact Mass208.05
IUPAC Name2-(2-fluorophenyl)sulfanyl-1-methylimidazole
SMILESCn1ccnc1Sc1ccccc1F
InChIInChI=1S/C10H9FN2S/c1-13-7-6-12-10(13)14-9-5-3-2-4-8(9)11/h2-7H,1H3
InChIKeyNSAZAIBOOYQVMV-UHFFFAOYSA-N
XLogP2.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-1-methylimidazole?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-1-methylimidazole (CID 91422235) is 2-(2-fluorophenyl)sulfanyl-1-methylimidazole.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-1-methylimidazole?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-1-methylimidazole is Cn1ccnc1Sc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-1-methylimidazole?
The InChIKey is NSAZAIBOOYQVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2S/c1-13-7-6-12-10(13)14-9-5-3-2-4-8(9)11/h2-7H,1H3.
What are the key properties of 2-(2-fluorophenyl)sulfanyl-1-methylimidazole?
2-(2-fluorophenyl)sulfanyl-1-methylimidazole has a molecular weight of 208.26 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanyl-1-methylimidazole is sourced from PubChem (CID 91422235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).