1-(4-methylsulfanylphenyl)imidazole

C10H10N2S — CID 11401256

IUPAC1-(4-methylsulfanylphenyl)imidazole
SMILESCSc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C10H10N2S/c1-13-10-4-2-9(3-5-10)12-7-6-11-8-12/h2-8H,1H3
InChIKeyCDGUDHIUGMSAPX-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.59
Rot. Bonds2

About 1-(4-methylsulfanylphenyl)imidazole

1-(4-methylsulfanylphenyl)imidazole (PubChem CID 11401256) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 1-(4-methylsulfanylphenyl)imidazole.

Molecular Properties

Compound Name1-(4-methylsulfanylphenyl)imidazole
PubChem CID11401256
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC Name1-(4-methylsulfanylphenyl)imidazole
SMILESCSc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C10H10N2S/c1-13-10-4-2-9(3-5-10)12-7-6-11-8-12/h2-8H,1H3
InChIKeyCDGUDHIUGMSAPX-UHFFFAOYSA-N
XLogP2.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfanylphenyl)imidazole?
The IUPAC name of 1-(4-methylsulfanylphenyl)imidazole (CID 11401256) is 1-(4-methylsulfanylphenyl)imidazole.
What is the SMILES notation for 1-(4-methylsulfanylphenyl)imidazole?
The canonical SMILES for 1-(4-methylsulfanylphenyl)imidazole is CSc1ccc(-n2ccnc2)cc1.
What is the InChIKey of 1-(4-methylsulfanylphenyl)imidazole?
The InChIKey is CDGUDHIUGMSAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S/c1-13-10-4-2-9(3-5-10)12-7-6-11-8-12/h2-8H,1H3.
What are the key properties of 1-(4-methylsulfanylphenyl)imidazole?
1-(4-methylsulfanylphenyl)imidazole has a molecular weight of 190.27 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfanylphenyl)imidazole is sourced from PubChem (CID 11401256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).