1-(3,5-dimethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanol

C14H18N2OS — CID 111476226

IUPAC1-(3,5-dimethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanol
SMILESCc1cc(C)cc(C(O)CSc2nccn2C)c1
InChIInChI=1S/C14H18N2OS/c1-10-6-11(2)8-12(7-10)13(17)9-18-14-15-4-5-16(14)3/h4-8,13,17H,9H2,1-3H3
InChIKeySEDAQUJJTBBQOW-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.86
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanol

1-(3,5-dimethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanol (PubChem CID 111476226) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanol.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanol
PubChem CID111476226
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name1-(3,5-dimethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanol
SMILESCc1cc(C)cc(C(O)CSc2nccn2C)c1
InChIInChI=1S/C14H18N2OS/c1-10-6-11(2)8-12(7-10)13(17)9-18-14-15-4-5-16(14)3/h4-8,13,17H,9H2,1-3H3
InChIKeySEDAQUJJTBBQOW-UHFFFAOYSA-N
XLogP2.86
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanol?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanol (CID 111476226) is 1-(3,5-dimethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanol.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanol?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanol is Cc1cc(C)cc(C(O)CSc2nccn2C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanol?
The InChIKey is SEDAQUJJTBBQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10-6-11(2)8-12(7-10)13(17)9-18-14-15-4-5-16(14)3/h4-8,13,17H,9H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanol?
1-(3,5-dimethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanol has a molecular weight of 262.38 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanol is sourced from PubChem (CID 111476226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).