N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

C23H17F3N4O3S — CID 43050556

About N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (PubChem CID 43050556) has the molecular formula C23H17F3N4O3S and a molecular weight of 486.48 g/mol. Its IUPAC name is N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.

Molecular Properties

• Compound Name: N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
• PubChem CID: 43050556
• Molecular Formula: C23H17F3N4O3S
• Molecular Weight: 486.48 g/mol
• Exact Mass: 486.10
• IUPAC Name: N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
• SMILES: O=C(CC1Sc2ccccc2NC1=O)Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1
• InChI: InChI=1S/C23H17F3N4O3S/c24-23(25,26)13-7-8-17-16(10-13)28-22(30(17)12-14-4-3-9-33-14)29-20(31)11-19-21(32)27-15-5-1-2-6-18(15)34-19/h1-10,19H,11-12H2,(H,27,32)(H,28,29,31)
• InChIKey: AWWNUSZBZHBOLF-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 89.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.48
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?

The IUPAC name of N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (CID 43050556) is N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.

What is the SMILES notation for N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?

The canonical SMILES for N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is O=C(CC1Sc2ccccc2NC1=O)Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1.

What is the InChIKey of N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?

The InChIKey is AWWNUSZBZHBOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O3S/c24-23(25,26)13-7-8-17-16(10-13)28-22(30(17)12-14-4-3-9-33-14)29-20(31)11-19-21(32)27-15-5-1-2-6-18(15)34-19/h1-10,19H,11-12H2,(H,27,32)(H,28,29,31).

What are the key properties of N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?

N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide has a molecular weight of 486.48 g/mol, XLogP of 5.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is sourced from PubChem (CID 43050556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).