2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylethanol

C12H14N2OS — CID 82129265

IUPAC2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylethanol
SMILESCc1ccc(-n2ccnc2SCCO)cc1
InChIInChI=1S/C12H14N2OS/c1-10-2-4-11(5-3-10)14-7-6-13-12(14)16-9-8-15/h2-7,15H,8-9H2,1H3
InChIKeyLTAVZZNNGHJQJH-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.27
Rot. Bonds4

About 2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylethanol

2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylethanol (PubChem CID 82129265) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylethanol.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylethanol
PubChem CID82129265
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylethanol
SMILESCc1ccc(-n2ccnc2SCCO)cc1
InChIInChI=1S/C12H14N2OS/c1-10-2-4-11(5-3-10)14-7-6-13-12(14)16-9-8-15/h2-7,15H,8-9H2,1H3
InChIKeyLTAVZZNNGHJQJH-UHFFFAOYSA-N
XLogP2.27
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylethanol
CID 82129775
2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylacetonitrile
CID 82128403
1-(4-methylphenyl)-2-[(4-methylsulfanylphenyl)methylsulfanyl]imidazole
CID 167446542
2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanol
CID 47024738
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 4120310
1-phenyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)imidazole
CID 1484823
5-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpentan-2-one
CID 134005509
2-[1-[(3-methylphenyl)methyl]imidazol-2-yl]sulfanylethanol
CID 94689526
4-(1-phenylimidazol-2-yl)sulfanylbutanoic acid
CID 5233179
2-[1-(4-methylsulfanylphenyl)imidazol-2-yl]sulfanylacetic acid
CID 29063549
2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetonitrile
CID 82132376
4-(2-ethylsulfanylimidazol-1-yl)-N-methylaniline
CID 168878323

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylethanol?
The IUPAC name of 2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylethanol (CID 82129265) is 2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylethanol.
What is the SMILES notation for 2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylethanol?
The canonical SMILES for 2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylethanol is Cc1ccc(-n2ccnc2SCCO)cc1.
What is the InChIKey of 2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylethanol?
The InChIKey is LTAVZZNNGHJQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-10-2-4-11(5-3-10)14-7-6-13-12(14)16-9-8-15/h2-7,15H,8-9H2,1H3.
What are the key properties of 2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylethanol?
2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylethanol has a molecular weight of 234.32 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylethanol is sourced from PubChem (CID 82129265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).