N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide

C22H23N5O4S — CID 42380329

About N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide (PubChem CID 42380329) has the molecular formula C22H23N5O4S and a molecular weight of 453.52 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide.

Molecular Properties

• Compound Name: N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
• PubChem CID: 42380329
• Molecular Formula: C22H23N5O4S
• Molecular Weight: 453.52 g/mol
• Exact Mass: 453.15
• IUPAC Name: N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
• SMILES: CCCn1c(=O)n(CC(=O)Nc2nc(-c3ccc(CNC(C)=O)o3)cs2)c2ccccc21
• InChI: InChI=1S/C22H23N5O4S/c1-3-10-26-17-6-4-5-7-18(17)27(22(26)30)12-20(29)25-21-24-16(13-32-21)19-9-8-15(31-19)11-23-14(2)28/h4-9,13H,3,10-12H2,1-2H3,(H,23,28)(H,24,25,29)
• InChIKey: BDXQBQBNUFLQOE-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 111.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.52
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?

The IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide (CID 42380329) is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide.

What is the SMILES notation for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?

The canonical SMILES for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide is CCCn1c(=O)n(CC(=O)Nc2nc(-c3ccc(CNC(C)=O)o3)cs2)c2ccccc21.

What is the InChIKey of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?

The InChIKey is BDXQBQBNUFLQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4S/c1-3-10-26-17-6-4-5-7-18(17)27(22(26)30)12-20(29)25-21-24-16(13-32-21)19-9-8-15(31-19)11-23-14(2)28/h4-9,13H,3,10-12H2,1-2H3,(H,23,28)(H,24,25,29).

What are the key properties of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide has a molecular weight of 453.52 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 42380329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).