4-(5-methyl-2-methylsulfanylimidazol-1-yl)phenol

C11H12N2OS — CID 13019877

IUPAC4-(5-methyl-2-methylsulfanylimidazol-1-yl)phenol
SMILESCSc1ncc(C)n1-c1ccc(O)cc1
InChIInChI=1S/C11H12N2OS/c1-8-7-12-11(15-2)13(8)9-3-5-10(14)6-4-9/h3-7,14H,1-2H3
InChIKeyWZLVVYYUFMOMFK-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.61
Rot. Bonds2

About 4-(5-methyl-2-methylsulfanylimidazol-1-yl)phenol

4-(5-methyl-2-methylsulfanylimidazol-1-yl)phenol (PubChem CID 13019877) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 4-(5-methyl-2-methylsulfanylimidazol-1-yl)phenol.

Molecular Properties

Compound Name4-(5-methyl-2-methylsulfanylimidazol-1-yl)phenol
PubChem CID13019877
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name4-(5-methyl-2-methylsulfanylimidazol-1-yl)phenol
SMILESCSc1ncc(C)n1-c1ccc(O)cc1
InChIInChI=1S/C11H12N2OS/c1-8-7-12-11(15-2)13(8)9-3-5-10(14)6-4-9/h3-7,14H,1-2H3
InChIKeyWZLVVYYUFMOMFK-UHFFFAOYSA-N
XLogP2.61
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-2-methylsulfanylimidazol-1-yl)phenol?
The IUPAC name of 4-(5-methyl-2-methylsulfanylimidazol-1-yl)phenol (CID 13019877) is 4-(5-methyl-2-methylsulfanylimidazol-1-yl)phenol.
What is the SMILES notation for 4-(5-methyl-2-methylsulfanylimidazol-1-yl)phenol?
The canonical SMILES for 4-(5-methyl-2-methylsulfanylimidazol-1-yl)phenol is CSc1ncc(C)n1-c1ccc(O)cc1.
What is the InChIKey of 4-(5-methyl-2-methylsulfanylimidazol-1-yl)phenol?
The InChIKey is WZLVVYYUFMOMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-8-7-12-11(15-2)13(8)9-3-5-10(14)6-4-9/h3-7,14H,1-2H3.
What are the key properties of 4-(5-methyl-2-methylsulfanylimidazol-1-yl)phenol?
4-(5-methyl-2-methylsulfanylimidazol-1-yl)phenol has a molecular weight of 220.30 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-2-methylsulfanylimidazol-1-yl)phenol is sourced from PubChem (CID 13019877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).