2-(benzimidazol-1-yl)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide

C22H25N3O3 — CID 46431564

About 2-(benzimidazol-1-yl)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide

2-(benzimidazol-1-yl)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide (PubChem CID 46431564) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide.

Molecular Properties

• Compound Name: 2-(benzimidazol-1-yl)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide
• PubChem CID: 46431564
• Molecular Formula: C22H25N3O3
• Molecular Weight: 379.46 g/mol
• Exact Mass: 379.19
• IUPAC Name: 2-(benzimidazol-1-yl)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide
• SMILES: CC(C(=O)NCCOc1cccc2c1OC(C)(C)C2)n1cnc2ccccc21
• InChI: InChI=1S/C22H25N3O3/c1-15(25-14-24-17-8-4-5-9-18(17)25)21(26)23-11-12-27-19-10-6-7-16-13-22(2,3)28-20(16)19/h4-10,14-15H,11-13H2,1-3H3,(H,23,26)
• InChIKey: BEHRKUJWGAYXIX-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.46
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide?

The IUPAC name of 2-(benzimidazol-1-yl)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide (CID 46431564) is 2-(benzimidazol-1-yl)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide.

What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide?

The canonical SMILES for 2-(benzimidazol-1-yl)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide is CC(C(=O)NCCOc1cccc2c1OC(C)(C)C2)n1cnc2ccccc21.

What is the InChIKey of 2-(benzimidazol-1-yl)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide?

The InChIKey is BEHRKUJWGAYXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-15(25-14-24-17-8-4-5-9-18(17)25)21(26)23-11-12-27-19-10-6-7-16-13-22(2,3)28-20(16)19/h4-10,14-15H,11-13H2,1-3H3,(H,23,26).

What are the key properties of 2-(benzimidazol-1-yl)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide?

2-(benzimidazol-1-yl)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide has a molecular weight of 379.46 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(benzimidazol-1-yl)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide is sourced from PubChem (CID 46431564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).