1-(2,5-dimethoxyphenyl)-4-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one

C26H30N4O4 — CID 17003907

About 1-(2,5-dimethoxyphenyl)-4-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one

1-(2,5-dimethoxyphenyl)-4-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 17003907) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-4-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-(2,5-dimethoxyphenyl)-4-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one
• PubChem CID: 17003907
• Molecular Formula: C26H30N4O4
• Molecular Weight: 462.55 g/mol
• Exact Mass: 462.23
• IUPAC Name: 1-(2,5-dimethoxyphenyl)-4-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one
• SMILES: COc1ccc(OC)c(N2CC(c3nc4ccccc4n3CC(=O)N3CCCCC3)CC2=O)c1
• InChI: InChI=1S/C26H30N4O4/c1-33-19-10-11-23(34-2)22(15-19)29-16-18(14-24(29)31)26-27-20-8-4-5-9-21(20)30(26)17-25(32)28-12-6-3-7-13-28/h4-5,8-11,15,18H,3,6-7,12-14,16-17H2,1-2H3
• InChIKey: IUFMGXCJRAQDQC-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 76.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.55
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-4-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one?

The IUPAC name of 1-(2,5-dimethoxyphenyl)-4-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one (CID 17003907) is 1-(2,5-dimethoxyphenyl)-4-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one.

What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-4-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one?

The canonical SMILES for 1-(2,5-dimethoxyphenyl)-4-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one is COc1ccc(OC)c(N2CC(c3nc4ccccc4n3CC(=O)N3CCCCC3)CC2=O)c1.

What is the InChIKey of 1-(2,5-dimethoxyphenyl)-4-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one?

The InChIKey is IUFMGXCJRAQDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-33-19-10-11-23(34-2)22(15-19)29-16-18(14-24(29)31)26-27-20-8-4-5-9-21(20)30(26)17-25(32)28-12-6-3-7-13-28/h4-5,8-11,15,18H,3,6-7,12-14,16-17H2,1-2H3.

What are the key properties of 1-(2,5-dimethoxyphenyl)-4-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one?

1-(2,5-dimethoxyphenyl)-4-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 462.55 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,5-dimethoxyphenyl)-4-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 17003907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).