N-[1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide

C30H29N3O3 — CID 16971807

About N-[1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide

N-[1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide (PubChem CID 16971807) has the molecular formula C30H29N3O3 and a molecular weight of 479.58 g/mol. Its IUPAC name is N-[1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide.

Molecular Properties

• Compound Name: N-[1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
• PubChem CID: 16971807
• Molecular Formula: C30H29N3O3
• Molecular Weight: 479.58 g/mol
• Exact Mass: 479.22
• IUPAC Name: N-[1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
• SMILES: CC(NC(=O)COc1ccccc1)c1nc2ccccc2n1CCCOc1ccc2ccccc2c1
• InChI: InChI=1S/C30H29N3O3/c1-22(31-29(34)21-36-25-12-3-2-4-13-25)30-32-27-14-7-8-15-28(27)33(30)18-9-19-35-26-17-16-23-10-5-6-11-24(23)20-26/h2-8,10-17,20,22H,9,18-19,21H2,1H3,(H,31,34)
• InChIKey: GIUWHDJJKYTULY-UHFFFAOYSA-N
• XLogP: 5.91
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.58
LogP ≤ 5	5.91
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 N-[1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide?

The IUPAC name of N-[1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide (CID 16971807) is N-[1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide.

What is the SMILES notation for N-[1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide?

The canonical SMILES for N-[1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide is CC(NC(=O)COc1ccccc1)c1nc2ccccc2n1CCCOc1ccc2ccccc2c1.

What is the InChIKey of N-[1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide?

The InChIKey is GIUWHDJJKYTULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O3/c1-22(31-29(34)21-36-25-12-3-2-4-13-25)30-32-27-14-7-8-15-28(27)33(30)18-9-19-35-26-17-16-23-10-5-6-11-24(23)20-26/h2-8,10-17,20,22H,9,18-19,21H2,1H3,(H,31,34).

What are the key properties of N-[1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide?

N-[1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide has a molecular weight of 479.58 g/mol, XLogP of 5.91, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 16971807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).