5-(3-methylsulfanylphenyl)-1H-imidazole

C10H10N2S — CID 24971331

IUPAC5-(3-methylsulfanylphenyl)-1H-imidazole
SMILESCSc1cccc(-c2cnc[nH]2)c1
InChIInChI=1S/C10H10N2S/c1-13-9-4-2-3-8(5-9)10-6-11-7-12-10/h2-7H,1H3,(H,11,12)
InChIKeyPWBYIFDHOLCAGB-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.80
Rot. Bonds2

About 5-(3-methylsulfanylphenyl)-1H-imidazole

5-(3-methylsulfanylphenyl)-1H-imidazole (PubChem CID 24971331) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 5-(3-methylsulfanylphenyl)-1H-imidazole.

Molecular Properties

Compound Name5-(3-methylsulfanylphenyl)-1H-imidazole
PubChem CID24971331
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC Name5-(3-methylsulfanylphenyl)-1H-imidazole
SMILESCSc1cccc(-c2cnc[nH]2)c1
InChIInChI=1S/C10H10N2S/c1-13-9-4-2-3-8(5-9)10-6-11-7-12-10/h2-7H,1H3,(H,11,12)
InChIKeyPWBYIFDHOLCAGB-UHFFFAOYSA-N
XLogP2.80
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylsulfanylphenyl)-1H-imidazole?
The IUPAC name of 5-(3-methylsulfanylphenyl)-1H-imidazole (CID 24971331) is 5-(3-methylsulfanylphenyl)-1H-imidazole.
What is the SMILES notation for 5-(3-methylsulfanylphenyl)-1H-imidazole?
The canonical SMILES for 5-(3-methylsulfanylphenyl)-1H-imidazole is CSc1cccc(-c2cnc[nH]2)c1.
What is the InChIKey of 5-(3-methylsulfanylphenyl)-1H-imidazole?
The InChIKey is PWBYIFDHOLCAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S/c1-13-9-4-2-3-8(5-9)10-6-11-7-12-10/h2-7H,1H3,(H,11,12).
What are the key properties of 5-(3-methylsulfanylphenyl)-1H-imidazole?
5-(3-methylsulfanylphenyl)-1H-imidazole has a molecular weight of 190.27 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylsulfanylphenyl)-1H-imidazole is sourced from PubChem (CID 24971331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).