2-[[2-(2-hydroxyphenyl)-1H-imidazol-5-yl]sulfanyl]-N-(4-methylphenyl)acetamide

C18H17N3O2S — CID 155553398

IUPAC2-[[2-(2-hydroxyphenyl)-1H-imidazol-5-yl]sulfanyl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2cnc(-c3ccccc3O)[nH]2)cc1
InChIInChI=1S/C18H17N3O2S/c1-12-6-8-13(9-7-12)20-16(23)11-24-17-10-19-18(21-17)14-4-2-3-5-15(14)22/h2-10,22H,11H2,1H3,(H,19,21)(H,20,23)
InChIKeyCOFILWDIEYUEJN-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.82
Rot. Bonds5

About 2-[[2-(2-hydroxyphenyl)-1H-imidazol-5-yl]sulfanyl]-N-(4-methylphenyl)acetamide

2-[[2-(2-hydroxyphenyl)-1H-imidazol-5-yl]sulfanyl]-N-(4-methylphenyl)acetamide (PubChem CID 155553398) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-[[2-(2-hydroxyphenyl)-1H-imidazol-5-yl]sulfanyl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2-hydroxyphenyl)-1H-imidazol-5-yl]sulfanyl]-N-(4-methylphenyl)acetamide
PubChem CID155553398
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name2-[[2-(2-hydroxyphenyl)-1H-imidazol-5-yl]sulfanyl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2cnc(-c3ccccc3O)[nH]2)cc1
InChIInChI=1S/C18H17N3O2S/c1-12-6-8-13(9-7-12)20-16(23)11-24-17-10-19-18(21-17)14-4-2-3-5-15(14)22/h2-10,22H,11H2,1H3,(H,19,21)(H,20,23)
InChIKeyCOFILWDIEYUEJN-UHFFFAOYSA-N
XLogP3.82
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-hydroxyphenyl)-1H-imidazol-5-yl]sulfanyl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[[2-(2-hydroxyphenyl)-1H-imidazol-5-yl]sulfanyl]-N-(4-methylphenyl)acetamide (CID 155553398) is 2-[[2-(2-hydroxyphenyl)-1H-imidazol-5-yl]sulfanyl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(2-hydroxyphenyl)-1H-imidazol-5-yl]sulfanyl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-(2-hydroxyphenyl)-1H-imidazol-5-yl]sulfanyl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CSc2cnc(-c3ccccc3O)[nH]2)cc1.
What is the InChIKey of 2-[[2-(2-hydroxyphenyl)-1H-imidazol-5-yl]sulfanyl]-N-(4-methylphenyl)acetamide?
The InChIKey is COFILWDIEYUEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12-6-8-13(9-7-12)20-16(23)11-24-17-10-19-18(21-17)14-4-2-3-5-15(14)22/h2-10,22H,11H2,1H3,(H,19,21)(H,20,23).
What are the key properties of 2-[[2-(2-hydroxyphenyl)-1H-imidazol-5-yl]sulfanyl]-N-(4-methylphenyl)acetamide?
2-[[2-(2-hydroxyphenyl)-1H-imidazol-5-yl]sulfanyl]-N-(4-methylphenyl)acetamide has a molecular weight of 339.42 g/mol, XLogP of 3.82, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-hydroxyphenyl)-1H-imidazol-5-yl]sulfanyl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 155553398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).