3-(2,2-dimethylpropanoyl)-1-(6-fluoro-1H-benzimidazol-2-yl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one

C20H18FN3O4 — CID 108608905

About 3-(2,2-dimethylpropanoyl)-1-(6-fluoro-1H-benzimidazol-2-yl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one

3-(2,2-dimethylpropanoyl)-1-(6-fluoro-1H-benzimidazol-2-yl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one (PubChem CID 108608905) has the molecular formula C20H18FN3O4 and a molecular weight of 383.38 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoyl)-1-(6-fluoro-1H-benzimidazol-2-yl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 3-(2,2-dimethylpropanoyl)-1-(6-fluoro-1H-benzimidazol-2-yl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
• PubChem CID: 108608905
• Molecular Formula: C20H18FN3O4
• Molecular Weight: 383.38 g/mol
• Exact Mass: 383.13
• IUPAC Name: 3-(2,2-dimethylpropanoyl)-1-(6-fluoro-1H-benzimidazol-2-yl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
• SMILES: CC(C)(C)C(=O)C1=C(O)C(=O)N(c2nc3ccc(F)cc3[nH]2)C1c1ccco1
• InChI: InChI=1S/C20H18FN3O4/c1-20(2,3)17(26)14-15(13-5-4-8-28-13)24(18(27)16(14)25)19-22-11-7-6-10(21)9-12(11)23-19/h4-9,15,25H,1-3H3,(H,22,23)
• InChIKey: FTDQBDPMCYGECC-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 99.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.38
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoyl)-1-(6-fluoro-1H-benzimidazol-2-yl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one?

The IUPAC name of 3-(2,2-dimethylpropanoyl)-1-(6-fluoro-1H-benzimidazol-2-yl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one (CID 108608905) is 3-(2,2-dimethylpropanoyl)-1-(6-fluoro-1H-benzimidazol-2-yl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one.

What is the SMILES notation for 3-(2,2-dimethylpropanoyl)-1-(6-fluoro-1H-benzimidazol-2-yl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one?

The canonical SMILES for 3-(2,2-dimethylpropanoyl)-1-(6-fluoro-1H-benzimidazol-2-yl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one is CC(C)(C)C(=O)C1=C(O)C(=O)N(c2nc3ccc(F)cc3[nH]2)C1c1ccco1.

What is the InChIKey of 3-(2,2-dimethylpropanoyl)-1-(6-fluoro-1H-benzimidazol-2-yl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one?

The InChIKey is FTDQBDPMCYGECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O4/c1-20(2,3)17(26)14-15(13-5-4-8-28-13)24(18(27)16(14)25)19-22-11-7-6-10(21)9-12(11)23-19/h4-9,15,25H,1-3H3,(H,22,23).

What are the key properties of 3-(2,2-dimethylpropanoyl)-1-(6-fluoro-1H-benzimidazol-2-yl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one?

3-(2,2-dimethylpropanoyl)-1-(6-fluoro-1H-benzimidazol-2-yl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 383.38 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,2-dimethylpropanoyl)-1-(6-fluoro-1H-benzimidazol-2-yl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 108608905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).