2-methoxy-N-[3-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide

C26H35N3O3 — CID 16981329

About 2-methoxy-N-[3-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide

2-methoxy-N-[3-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide (PubChem CID 16981329) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is 2-methoxy-N-[3-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide.

Molecular Properties

• Compound Name: 2-methoxy-N-[3-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
• PubChem CID: 16981329
• Molecular Formula: C26H35N3O3
• Molecular Weight: 437.58 g/mol
• Exact Mass: 437.27
• IUPAC Name: 2-methoxy-N-[3-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
• SMILES: COCC(=O)NCCCc1nc2ccccc2n1CCCOc1cc(C)ccc1C(C)C
• InChI: InChI=1S/C26H35N3O3/c1-19(2)21-13-12-20(3)17-24(21)32-16-8-15-29-23-10-6-5-9-22(23)28-25(29)11-7-14-27-26(30)18-31-4/h5-6,9-10,12-13,17,19H,7-8,11,14-16,18H2,1-4H3,(H,27,30)
• InChIKey: DWOAFPFMNQKSEW-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.58
LogP ≤ 5	4.63
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-methoxy-N-[3-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide?

The IUPAC name of 2-methoxy-N-[3-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide (CID 16981329) is 2-methoxy-N-[3-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide.

What is the SMILES notation for 2-methoxy-N-[3-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide?

The canonical SMILES for 2-methoxy-N-[3-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide is COCC(=O)NCCCc1nc2ccccc2n1CCCOc1cc(C)ccc1C(C)C.

What is the InChIKey of 2-methoxy-N-[3-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide?

The InChIKey is DWOAFPFMNQKSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-19(2)21-13-12-20(3)17-24(21)32-16-8-15-29-23-10-6-5-9-22(23)28-25(29)11-7-14-27-26(30)18-31-4/h5-6,9-10,12-13,17,19H,7-8,11,14-16,18H2,1-4H3,(H,27,30).

What are the key properties of 2-methoxy-N-[3-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide?

2-methoxy-N-[3-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide has a molecular weight of 437.58 g/mol, XLogP of 4.63, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-N-[3-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide is sourced from PubChem (CID 16981329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).