2,3-dimethyl-5-[(4-methylsulfanylphenyl)methylidene]-4H-imidazole

C13H16N2S — CID 141278643

IUPAC2,3-dimethyl-5-[(4-methylsulfanylphenyl)methylidene]-4H-imidazole
SMILESCSc1ccc(C=C2CN(C)C(C)=N2)cc1
InChIInChI=1S/C13H16N2S/c1-10-14-12(9-15(10)2)8-11-4-6-13(16-3)7-5-11/h4-8H,9H2,1-3H3
InChIKeyQBRDUSFKCUQTGD-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.11
Rot. Bonds2

About 2,3-dimethyl-5-[(4-methylsulfanylphenyl)methylidene]-4H-imidazole

2,3-dimethyl-5-[(4-methylsulfanylphenyl)methylidene]-4H-imidazole (PubChem CID 141278643) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2,3-dimethyl-5-[(4-methylsulfanylphenyl)methylidene]-4H-imidazole.

Molecular Properties

Compound Name2,3-dimethyl-5-[(4-methylsulfanylphenyl)methylidene]-4H-imidazole
PubChem CID141278643
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name2,3-dimethyl-5-[(4-methylsulfanylphenyl)methylidene]-4H-imidazole
SMILESCSc1ccc(C=C2CN(C)C(C)=N2)cc1
InChIInChI=1S/C13H16N2S/c1-10-14-12(9-15(10)2)8-11-4-6-13(16-3)7-5-11/h4-8H,9H2,1-3H3
InChIKeyQBRDUSFKCUQTGD-UHFFFAOYSA-N
XLogP3.11
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-[(4-methylsulfanylphenyl)methylidene]-4H-imidazole?
The IUPAC name of 2,3-dimethyl-5-[(4-methylsulfanylphenyl)methylidene]-4H-imidazole (CID 141278643) is 2,3-dimethyl-5-[(4-methylsulfanylphenyl)methylidene]-4H-imidazole.
What is the SMILES notation for 2,3-dimethyl-5-[(4-methylsulfanylphenyl)methylidene]-4H-imidazole?
The canonical SMILES for 2,3-dimethyl-5-[(4-methylsulfanylphenyl)methylidene]-4H-imidazole is CSc1ccc(C=C2CN(C)C(C)=N2)cc1.
What is the InChIKey of 2,3-dimethyl-5-[(4-methylsulfanylphenyl)methylidene]-4H-imidazole?
The InChIKey is QBRDUSFKCUQTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-10-14-12(9-15(10)2)8-11-4-6-13(16-3)7-5-11/h4-8H,9H2,1-3H3.
What are the key properties of 2,3-dimethyl-5-[(4-methylsulfanylphenyl)methylidene]-4H-imidazole?
2,3-dimethyl-5-[(4-methylsulfanylphenyl)methylidene]-4H-imidazole has a molecular weight of 232.35 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-[(4-methylsulfanylphenyl)methylidene]-4H-imidazole is sourced from PubChem (CID 141278643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).