2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide

C₂₃H₂₈N₄O₃ — CID 17031181

About 2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide

2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide (PubChem CID 17031181) has the molecular formula C₂₃H₂₈N₄O₃ and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
• PubChem CID: 17031181
• Molecular Formula: C₂₃H₂₈N₄O₃
• Molecular Weight: 408.50 g/mol
• Exact Mass: 408.22
• IUPAC Name: 2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
• SMILES: COCC(=O)NCCCc1nc2ccccc2n1CC(=O)NC(C)c1ccccc1
• InChI: InChI=1S/C23H28N4O3/c1-17(18-9-4-3-5-10-18)25-22(28)15-27-20-12-7-6-11-19(20)26-21(27)13-8-14-24-23(29)16-30-2/h3-7,9-12,17H,8,13-16H2,1-2H3,(H,24,29)(H,25,28)
• InChIKey: MWXUPKDMXIQHSQ-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 85.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.50
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	2
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-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide?

The IUPAC name of 2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide (CID 17031181) is 2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide.

What is the SMILES notation for 2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide?

The canonical SMILES for 2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide is COCC(=O)NCCCc1nc2ccccc2n1CC(=O)NC(C)c1ccccc1.

What is the InChIKey of 2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide?

The InChIKey is MWXUPKDMXIQHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-17(18-9-4-3-5-10-18)25-22(28)15-27-20-12-7-6-11-19(20)26-21(27)13-8-14-24-23(29)16-30-2/h3-7,9-12,17H,8,13-16H2,1-2H3,(H,24,29)(H,25,28).

What are the key properties of 2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide?

2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide has a molecular weight of 408.50 g/mol, XLogP of 2.61, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 17031181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 17031181 — identifiers, structure, computed properties (public domain)

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