1'-[2-(2,3-difluorophenyl)acetyl]-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

C23H20F2N4O2 — CID 166615743

About 1'-[2-(2,3-difluorophenyl)acetyl]-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

1'-[2-(2,3-difluorophenyl)acetyl]-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166615743) has the molecular formula C23H20F2N4O2 and a molecular weight of 422.44 g/mol. Its IUPAC name is 1'-[2-(2,3-difluorophenyl)acetyl]-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

• Compound Name: 1'-[2-(2,3-difluorophenyl)acetyl]-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
• PubChem CID: 166615743
• Molecular Formula: C23H20F2N4O2
• Molecular Weight: 422.44 g/mol
• Exact Mass: 422.16
• IUPAC Name: 1'-[2-(2,3-difluorophenyl)acetyl]-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
• SMILES: Cn1ccnc1C1N(C(=O)Cc2cccc(F)c2F)CCC12C(=O)Nc1ccccc12
• InChI: InChI=1S/C23H20F2N4O2/c1-28-12-10-26-21(28)20-23(15-6-2-3-8-17(15)27-22(23)31)9-11-29(20)18(30)13-14-5-4-7-16(24)19(14)25/h2-8,10,12,20H,9,11,13H2,1H3,(H,27,31)
• InChIKey: GPMCMWMLPXOLRT-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.44
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1'-[2-(2,3-difluorophenyl)acetyl]-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?

The IUPAC name of 1'-[2-(2,3-difluorophenyl)acetyl]-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166615743) is 1'-[2-(2,3-difluorophenyl)acetyl]-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

What is the SMILES notation for 1'-[2-(2,3-difluorophenyl)acetyl]-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?

The canonical SMILES for 1'-[2-(2,3-difluorophenyl)acetyl]-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is Cn1ccnc1C1N(C(=O)Cc2cccc(F)c2F)CCC12C(=O)Nc1ccccc12.

What is the InChIKey of 1'-[2-(2,3-difluorophenyl)acetyl]-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?

The InChIKey is GPMCMWMLPXOLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4O2/c1-28-12-10-26-21(28)20-23(15-6-2-3-8-17(15)27-22(23)31)9-11-29(20)18(30)13-14-5-4-7-16(24)19(14)25/h2-8,10,12,20H,9,11,13H2,1H3,(H,27,31).

What are the key properties of 1'-[2-(2,3-difluorophenyl)acetyl]-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?

1'-[2-(2,3-difluorophenyl)acetyl]-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 422.44 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[2-(2,3-difluorophenyl)acetyl]-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166615743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).