N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide

C17H18N4O2S — CID 155911972

About N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide

N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide (PubChem CID 155911972) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
• PubChem CID: 155911972
• Molecular Formula: C17H18N4O2S
• Molecular Weight: 342.42 g/mol
• Exact Mass: 342.12
• IUPAC Name: N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
• SMILES: Cc1ccc2nc(SCC(=O)Nc3cc(C)c(C)[nH]c3=O)[nH]c2c1
• InChI: InChI=1S/C17H18N4O2S/c1-9-4-5-12-13(6-9)21-17(20-12)24-8-15(22)19-14-7-10(2)11(3)18-16(14)23/h4-7H,8H2,1-3H3,(H,18,23)(H,19,22)(H,20,21)
• InChIKey: UEZYSESAUHJMIY-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 90.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.42
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?

The IUPAC name of N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide (CID 155911972) is N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide.

What is the SMILES notation for N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?

The canonical SMILES for N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide is Cc1ccc2nc(SCC(=O)Nc3cc(C)c(C)[nH]c3=O)[nH]c2c1.

What is the InChIKey of N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?

The InChIKey is UEZYSESAUHJMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-9-4-5-12-13(6-9)21-17(20-12)24-8-15(22)19-14-7-10(2)11(3)18-16(14)23/h4-7H,8H2,1-3H3,(H,18,23)(H,19,22)(H,20,21).

What are the key properties of N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?

N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide has a molecular weight of 342.42 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 155911972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).