N-(2,4-dibromo-5-methoxyphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide

C17H15Br2N3O2S — CID 4645173

About N-(2,4-dibromo-5-methoxyphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide

N-(2,4-dibromo-5-methoxyphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide (PubChem CID 4645173) has the molecular formula C17H15Br2N3O2S and a molecular weight of 485.20 g/mol. Its IUPAC name is N-(2,4-dibromo-5-methoxyphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(2,4-dibromo-5-methoxyphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
• PubChem CID: 4645173
• Molecular Formula: C17H15Br2N3O2S
• Molecular Weight: 485.20 g/mol
• Exact Mass: 482.93
• IUPAC Name: N-(2,4-dibromo-5-methoxyphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
• SMILES: COc1cc(NC(=O)CSc2nc3ccc(C)cc3[nH]2)c(Br)cc1Br
• InChI: InChI=1S/C17H15Br2N3O2S/c1-9-3-4-12-14(5-9)22-17(21-12)25-8-16(23)20-13-7-15(24-2)11(19)6-10(13)18/h3-7H,8H2,1-2H3,(H,20,23)(H,21,22)
• InChIKey: IDFKIPRRWAGAQL-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 67.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.20
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromo-5-methoxyphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?

The IUPAC name of N-(2,4-dibromo-5-methoxyphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide (CID 4645173) is N-(2,4-dibromo-5-methoxyphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide.

What is the SMILES notation for N-(2,4-dibromo-5-methoxyphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?

The canonical SMILES for N-(2,4-dibromo-5-methoxyphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide is COc1cc(NC(=O)CSc2nc3ccc(C)cc3[nH]2)c(Br)cc1Br.

What is the InChIKey of N-(2,4-dibromo-5-methoxyphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?

The InChIKey is IDFKIPRRWAGAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Br2N3O2S/c1-9-3-4-12-14(5-9)22-17(21-12)25-8-16(23)20-13-7-15(24-2)11(19)6-10(13)18/h3-7H,8H2,1-2H3,(H,20,23)(H,21,22).

What are the key properties of N-(2,4-dibromo-5-methoxyphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?

N-(2,4-dibromo-5-methoxyphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide has a molecular weight of 485.20 g/mol, XLogP of 5.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-dibromo-5-methoxyphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 4645173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).