N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide

C20H17BrN4O2S — CID 24603739

About N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide

N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide (PubChem CID 24603739) has the molecular formula C20H17BrN4O2S and a molecular weight of 457.35 g/mol. Its IUPAC name is N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide.

Molecular Properties

• Compound Name: N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
• PubChem CID: 24603739
• Molecular Formula: C20H17BrN4O2S
• Molecular Weight: 457.35 g/mol
• Exact Mass: 456.03
• IUPAC Name: N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
• SMILES: Cn1c(=O)n(CC(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)c2ccccc21
• InChI: InChI=1S/C20H17BrN4O2S/c1-24-16-4-2-3-5-17(16)25(20(24)27)12-18(26)23-19-22-11-15(28-19)10-13-6-8-14(21)9-7-13/h2-9,11H,10,12H2,1H3,(H,22,23,26)
• InChIKey: XGKOWUKVHSRWHN-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 68.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.35
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?

The IUPAC name of N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide (CID 24603739) is N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide.

What is the SMILES notation for N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?

The canonical SMILES for N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide is Cn1c(=O)n(CC(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)c2ccccc21.

What is the InChIKey of N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?

The InChIKey is XGKOWUKVHSRWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN4O2S/c1-24-16-4-2-3-5-17(16)25(20(24)27)12-18(26)23-19-22-11-15(28-19)10-13-6-8-14(21)9-7-13/h2-9,11H,10,12H2,1H3,(H,22,23,26).

What are the key properties of N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?

N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide has a molecular weight of 457.35 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide is sourced from PubChem (CID 24603739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).