5-methyl-1-(4-methylsulfanylphenyl)imidazole

C11H12N2S — CID 16754906

IUPAC5-methyl-1-(4-methylsulfanylphenyl)imidazole
SMILESCSc1ccc(-n2cncc2C)cc1
InChIInChI=1S/C11H12N2S/c1-9-7-12-8-13(9)10-3-5-11(14-2)6-4-10/h3-8H,1-2H3
InChIKeyQGJAIGWNPZPBCV-UHFFFAOYSA-N
MW204.30 g/mol
LogP2.90
Rot. Bonds2

About 5-methyl-1-(4-methylsulfanylphenyl)imidazole

5-methyl-1-(4-methylsulfanylphenyl)imidazole (PubChem CID 16754906) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 5-methyl-1-(4-methylsulfanylphenyl)imidazole.

Molecular Properties

Compound Name5-methyl-1-(4-methylsulfanylphenyl)imidazole
PubChem CID16754906
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name5-methyl-1-(4-methylsulfanylphenyl)imidazole
SMILESCSc1ccc(-n2cncc2C)cc1
InChIInChI=1S/C11H12N2S/c1-9-7-12-8-13(9)10-3-5-11(14-2)6-4-10/h3-8H,1-2H3
InChIKeyQGJAIGWNPZPBCV-UHFFFAOYSA-N
XLogP2.90
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(4-methylsulfanylphenyl)imidazole?
The IUPAC name of 5-methyl-1-(4-methylsulfanylphenyl)imidazole (CID 16754906) is 5-methyl-1-(4-methylsulfanylphenyl)imidazole.
What is the SMILES notation for 5-methyl-1-(4-methylsulfanylphenyl)imidazole?
The canonical SMILES for 5-methyl-1-(4-methylsulfanylphenyl)imidazole is CSc1ccc(-n2cncc2C)cc1.
What is the InChIKey of 5-methyl-1-(4-methylsulfanylphenyl)imidazole?
The InChIKey is QGJAIGWNPZPBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-9-7-12-8-13(9)10-3-5-11(14-2)6-4-10/h3-8H,1-2H3.
What are the key properties of 5-methyl-1-(4-methylsulfanylphenyl)imidazole?
5-methyl-1-(4-methylsulfanylphenyl)imidazole has a molecular weight of 204.30 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(4-methylsulfanylphenyl)imidazole is sourced from PubChem (CID 16754906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).