1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one

C31H27N3O4 — CID 16964789

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 16964789) has the molecular formula C31H27N3O4 and a molecular weight of 505.57 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
• PubChem CID: 16964789
• Molecular Formula: C31H27N3O4
• Molecular Weight: 505.57 g/mol
• Exact Mass: 505.20
• IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
• SMILES: O=C1CC(c2nc3ccccc3n2CCOc2cccc3ccccc23)CN1c1ccc2c(c1)OCCO2
• InChI: InChI=1S/C31H27N3O4/c35-30-18-22(20-34(30)23-12-13-28-29(19-23)38-17-16-37-28)31-32-25-9-3-4-10-26(25)33(31)14-15-36-27-11-5-7-21-6-1-2-8-24(21)27/h1-13,19,22H,14-18,20H2
• InChIKey: FAMKNJBKJHOVJW-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 65.82 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.57
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one?

The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one (CID 16964789) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one.

What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one?

The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one is O=C1CC(c2nc3ccccc3n2CCOc2cccc3ccccc23)CN1c1ccc2c(c1)OCCO2.

What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one?

The InChIKey is FAMKNJBKJHOVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N3O4/c35-30-18-22(20-34(30)23-12-13-28-29(19-23)38-17-16-37-28)31-32-25-9-3-4-10-26(25)33(31)14-15-36-27-11-5-7-21-6-1-2-8-24(21)27/h1-13,19,22H,14-18,20H2.

What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one?

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 505.57 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 16964789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).