3-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-1H-benzimidazol-2-one

C23H27N3O3 — CID 11047487

About 3-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-1H-benzimidazol-2-one

3-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-1H-benzimidazol-2-one (PubChem CID 11047487) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 3-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-1H-benzimidazol-2-one.

Molecular Properties

• Compound Name: 3-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-1H-benzimidazol-2-one
• PubChem CID: 11047487
• Molecular Formula: C23H27N3O3
• Molecular Weight: 393.49 g/mol
• Exact Mass: 393.21
• IUPAC Name: 3-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-1H-benzimidazol-2-one
• SMILES: O=c1[nH]c2ccccc2n1CCC1CCN(CC2COc3ccccc3O2)CC1
• InChI: InChI=1S/C23H27N3O3/c27-23-24-19-5-1-2-6-20(19)26(23)14-11-17-9-12-25(13-10-17)15-18-16-28-21-7-3-4-8-22(21)29-18/h1-8,17-18H,9-16H2,(H,24,27)
• InChIKey: HBOCFAUBJQHGIR-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 59.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.49
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-1H-benzimidazol-2-one?

The IUPAC name of 3-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-1H-benzimidazol-2-one (CID 11047487) is 3-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-1H-benzimidazol-2-one.

What is the SMILES notation for 3-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-1H-benzimidazol-2-one?

The canonical SMILES for 3-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1CCC1CCN(CC2COc3ccccc3O2)CC1.

What is the InChIKey of 3-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-1H-benzimidazol-2-one?

The InChIKey is HBOCFAUBJQHGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c27-23-24-19-5-1-2-6-20(19)26(23)14-11-17-9-12-25(13-10-17)15-18-16-28-21-7-3-4-8-22(21)29-18/h1-8,17-18H,9-16H2,(H,24,27).

What are the key properties of 3-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-1H-benzimidazol-2-one?

3-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-1H-benzimidazol-2-one has a molecular weight of 393.49 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 11047487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).