[4-(1H-imidazol-2-ylsulfanyl)-2-methylphenyl]methanol

C11H12N2OS — CID 107783398

IUPAC[4-(1H-imidazol-2-ylsulfanyl)-2-methylphenyl]methanol
SMILESCc1cc(Sc2ncc[nH]2)ccc1CO
InChIInChI=1S/C11H12N2OS/c1-8-6-10(3-2-9(8)7-14)15-11-12-4-5-13-11/h2-6,14H,7H2,1H3,(H,12,13)
InChIKeyLVFSTKRSROUIDG-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.36
Rot. Bonds3

About [4-(1H-imidazol-2-ylsulfanyl)-2-methylphenyl]methanol

[4-(1H-imidazol-2-ylsulfanyl)-2-methylphenyl]methanol (PubChem CID 107783398) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is [4-(1H-imidazol-2-ylsulfanyl)-2-methylphenyl]methanol.

Molecular Properties

Compound Name[4-(1H-imidazol-2-ylsulfanyl)-2-methylphenyl]methanol
PubChem CID107783398
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name[4-(1H-imidazol-2-ylsulfanyl)-2-methylphenyl]methanol
SMILESCc1cc(Sc2ncc[nH]2)ccc1CO
InChIInChI=1S/C11H12N2OS/c1-8-6-10(3-2-9(8)7-14)15-11-12-4-5-13-11/h2-6,14H,7H2,1H3,(H,12,13)
InChIKeyLVFSTKRSROUIDG-UHFFFAOYSA-N
XLogP2.36
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1H-imidazol-2-ylsulfanyl)phenyl]methanol
CID 107783417
5-(1H-imidazol-2-ylsulfanyl)-2-methylaniline
CID 107779352
4-(1H-imidazol-2-ylsulfanyl)-2-methylbenzaldehyde
CID 107782964
4-(1H-imidazol-2-ylsulfanyl)benzene-1,2-diamine
CID 21482783
[2-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methanol
CID 65041393
[2-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanol
CID 104604395
1-[2-chloro-4-(1H-imidazol-2-ylsulfanyl)phenyl]ethanone
CID 107780510
[4-(1H-imidazol-2-ylsulfanyl)phenyl]methanamine
CID 107780968
N-[[2-bromo-4-(1H-imidazol-2-ylsulfanyl)phenyl]methyl]cyclopropanamine
CID 114061136
(2-methyl-4-thiophen-2-ylsulfanylphenyl)methanol
CID 63813796
[2-(1H-imidazol-2-ylsulfanyl)-5-nitrophenyl]methanol
CID 107783436
2-(2-methylphenyl)sulfanyl-1H-imidazole
CID 67575257

Frequently Asked Questions

What is the IUPAC name of [4-(1H-imidazol-2-ylsulfanyl)-2-methylphenyl]methanol?
The IUPAC name of [4-(1H-imidazol-2-ylsulfanyl)-2-methylphenyl]methanol (CID 107783398) is [4-(1H-imidazol-2-ylsulfanyl)-2-methylphenyl]methanol.
What is the SMILES notation for [4-(1H-imidazol-2-ylsulfanyl)-2-methylphenyl]methanol?
The canonical SMILES for [4-(1H-imidazol-2-ylsulfanyl)-2-methylphenyl]methanol is Cc1cc(Sc2ncc[nH]2)ccc1CO.
What is the InChIKey of [4-(1H-imidazol-2-ylsulfanyl)-2-methylphenyl]methanol?
The InChIKey is LVFSTKRSROUIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-8-6-10(3-2-9(8)7-14)15-11-12-4-5-13-11/h2-6,14H,7H2,1H3,(H,12,13).
What are the key properties of [4-(1H-imidazol-2-ylsulfanyl)-2-methylphenyl]methanol?
[4-(1H-imidazol-2-ylsulfanyl)-2-methylphenyl]methanol has a molecular weight of 220.30 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-imidazol-2-ylsulfanyl)-2-methylphenyl]methanol is sourced from PubChem (CID 107783398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).