3-(2-fluoro-5-methylphenyl)-5-methyl-1H-imidazole-2-thione

C11H11FN2S — CID 81335140

IUPAC3-(2-fluoro-5-methylphenyl)-5-methyl-1H-imidazole-2-thione
SMILESCc1ccc(F)c(-n2cc(C)[nH]c2=S)c1
InChIInChI=1S/C11H11FN2S/c1-7-3-4-9(12)10(5-7)14-6-8(2)13-11(14)15/h3-6H,1-2H3,(H,13,15)
InChIKeyIMADSASJUKGSPE-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.29
Rot. Bonds1

About 3-(2-fluoro-5-methylphenyl)-5-methyl-1H-imidazole-2-thione

3-(2-fluoro-5-methylphenyl)-5-methyl-1H-imidazole-2-thione (PubChem CID 81335140) has the molecular formula C11H11FN2S and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-(2-fluoro-5-methylphenyl)-5-methyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(2-fluoro-5-methylphenyl)-5-methyl-1H-imidazole-2-thione
PubChem CID81335140
Molecular FormulaC11H11FN2S
Molecular Weight222.29 g/mol
Exact Mass222.06
IUPAC Name3-(2-fluoro-5-methylphenyl)-5-methyl-1H-imidazole-2-thione
SMILESCc1ccc(F)c(-n2cc(C)[nH]c2=S)c1
InChIInChI=1S/C11H11FN2S/c1-7-3-4-9(12)10(5-7)14-6-8(2)13-11(14)15/h3-6H,1-2H3,(H,13,15)
InChIKeyIMADSASJUKGSPE-UHFFFAOYSA-N
XLogP3.29
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-5-methylphenyl)-5-methyl-1H-imidazole-2-thione?
The IUPAC name of 3-(2-fluoro-5-methylphenyl)-5-methyl-1H-imidazole-2-thione (CID 81335140) is 3-(2-fluoro-5-methylphenyl)-5-methyl-1H-imidazole-2-thione.
What is the SMILES notation for 3-(2-fluoro-5-methylphenyl)-5-methyl-1H-imidazole-2-thione?
The canonical SMILES for 3-(2-fluoro-5-methylphenyl)-5-methyl-1H-imidazole-2-thione is Cc1ccc(F)c(-n2cc(C)[nH]c2=S)c1.
What is the InChIKey of 3-(2-fluoro-5-methylphenyl)-5-methyl-1H-imidazole-2-thione?
The InChIKey is IMADSASJUKGSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2S/c1-7-3-4-9(12)10(5-7)14-6-8(2)13-11(14)15/h3-6H,1-2H3,(H,13,15).
What are the key properties of 3-(2-fluoro-5-methylphenyl)-5-methyl-1H-imidazole-2-thione?
3-(2-fluoro-5-methylphenyl)-5-methyl-1H-imidazole-2-thione has a molecular weight of 222.29 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-5-methylphenyl)-5-methyl-1H-imidazole-2-thione is sourced from PubChem (CID 81335140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).