[1-(4-methylsulfanylphenyl)imidazol-4-yl]methanol

C11H12N2OS — CID 23445034

IUPAC[1-(4-methylsulfanylphenyl)imidazol-4-yl]methanol
SMILESCSc1ccc(-n2cnc(CO)c2)cc1
InChIInChI=1S/C11H12N2OS/c1-15-11-4-2-10(3-5-11)13-6-9(7-14)12-8-13/h2-6,8,14H,7H2,1H3
InChIKeyDLFQRAUSIJIPJF-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.09
Rot. Bonds3

About [1-(4-methylsulfanylphenyl)imidazol-4-yl]methanol

[1-(4-methylsulfanylphenyl)imidazol-4-yl]methanol (PubChem CID 23445034) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is [1-(4-methylsulfanylphenyl)imidazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-methylsulfanylphenyl)imidazol-4-yl]methanol
PubChem CID23445034
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name[1-(4-methylsulfanylphenyl)imidazol-4-yl]methanol
SMILESCSc1ccc(-n2cnc(CO)c2)cc1
InChIInChI=1S/C11H12N2OS/c1-15-11-4-2-10(3-5-11)13-6-9(7-14)12-8-13/h2-6,8,14H,7H2,1H3
InChIKeyDLFQRAUSIJIPJF-UHFFFAOYSA-N
XLogP2.09
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methylsulfanylphenyl)imidazol-4-yl]methanol?
The IUPAC name of [1-(4-methylsulfanylphenyl)imidazol-4-yl]methanol (CID 23445034) is [1-(4-methylsulfanylphenyl)imidazol-4-yl]methanol.
What is the SMILES notation for [1-(4-methylsulfanylphenyl)imidazol-4-yl]methanol?
The canonical SMILES for [1-(4-methylsulfanylphenyl)imidazol-4-yl]methanol is CSc1ccc(-n2cnc(CO)c2)cc1.
What is the InChIKey of [1-(4-methylsulfanylphenyl)imidazol-4-yl]methanol?
The InChIKey is DLFQRAUSIJIPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-15-11-4-2-10(3-5-11)13-6-9(7-14)12-8-13/h2-6,8,14H,7H2,1H3.
What are the key properties of [1-(4-methylsulfanylphenyl)imidazol-4-yl]methanol?
[1-(4-methylsulfanylphenyl)imidazol-4-yl]methanol has a molecular weight of 220.30 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylsulfanylphenyl)imidazol-4-yl]methanol is sourced from PubChem (CID 23445034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).