1-(1,3-benzodioxol-5-yl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one

C30H25N3O4 — CID 16964951

About 1-(1,3-benzodioxol-5-yl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one

1-(1,3-benzodioxol-5-yl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 16964951) has the molecular formula C30H25N3O4 and a molecular weight of 491.55 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-(1,3-benzodioxol-5-yl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
• PubChem CID: 16964951
• Molecular Formula: C30H25N3O4
• Molecular Weight: 491.55 g/mol
• Exact Mass: 491.18
• IUPAC Name: 1-(1,3-benzodioxol-5-yl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
• SMILES: O=C1CC(c2nc3ccccc3n2CCOc2cccc3ccccc23)CN1c1ccc2c(c1)OCO2
• InChI: InChI=1S/C30H25N3O4/c34-29-16-21(18-33(29)22-12-13-27-28(17-22)37-19-36-27)30-31-24-9-3-4-10-25(24)32(30)14-15-35-26-11-5-7-20-6-1-2-8-23(20)26/h1-13,17,21H,14-16,18-19H2
• InChIKey: CPORAGTWJRYLTD-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 65.82 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.55
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one?

The IUPAC name of 1-(1,3-benzodioxol-5-yl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one (CID 16964951) is 1-(1,3-benzodioxol-5-yl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one.

What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one?

The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one is O=C1CC(c2nc3ccccc3n2CCOc2cccc3ccccc23)CN1c1ccc2c(c1)OCO2.

What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one?

The InChIKey is CPORAGTWJRYLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3O4/c34-29-16-21(18-33(29)22-12-13-27-28(17-22)37-19-36-27)30-31-24-9-3-4-10-25(24)32(30)14-15-35-26-11-5-7-20-6-1-2-8-23(20)26/h1-13,17,21H,14-16,18-19H2.

What are the key properties of 1-(1,3-benzodioxol-5-yl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one?

1-(1,3-benzodioxol-5-yl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 491.55 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzodioxol-5-yl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 16964951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).