2-[2-bromo-4-[(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide

C24H15BrFN3O3S — CID 23959430

About 2-[2-bromo-4-[(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide

2-[2-bromo-4-[(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide (PubChem CID 23959430) has the molecular formula C24H15BrFN3O3S and a molecular weight of 524.37 g/mol. Its IUPAC name is 2-[2-bromo-4-[(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-bromo-4-[(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide
• PubChem CID: 23959430
• Molecular Formula: C24H15BrFN3O3S
• Molecular Weight: 524.37 g/mol
• Exact Mass: 523.00
• IUPAC Name: 2-[2-bromo-4-[(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide
• SMILES: O=C(COc1ccc(C=c2sc3nc4ccccc4n3c2=O)cc1Br)Nc1ccc(F)cc1
• InChI: InChI=1S/C24H15BrFN3O3S/c25-17-11-14(5-10-20(17)32-13-22(30)27-16-8-6-15(26)7-9-16)12-21-23(31)29-19-4-2-1-3-18(19)28-24(29)33-21/h1-12H,13H2,(H,27,30)
• InChIKey: HBNFEAZENVTNNM-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.37
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-[(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide?

The IUPAC name of 2-[2-bromo-4-[(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide (CID 23959430) is 2-[2-bromo-4-[(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide.

What is the SMILES notation for 2-[2-bromo-4-[(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide?

The canonical SMILES for 2-[2-bromo-4-[(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide is O=C(COc1ccc(C=c2sc3nc4ccccc4n3c2=O)cc1Br)Nc1ccc(F)cc1.

What is the InChIKey of 2-[2-bromo-4-[(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide?

The InChIKey is HBNFEAZENVTNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15BrFN3O3S/c25-17-11-14(5-10-20(17)32-13-22(30)27-16-8-6-15(26)7-9-16)12-21-23(31)29-19-4-2-1-3-18(19)28-24(29)33-21/h1-12H,13H2,(H,27,30).

What are the key properties of 2-[2-bromo-4-[(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide?

2-[2-bromo-4-[(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide has a molecular weight of 524.37 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-bromo-4-[(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 23959430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).