N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide

C30H35N3O3 — CID 16992920

About N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide

N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide (PubChem CID 16992920) has the molecular formula C30H35N3O3 and a molecular weight of 485.63 g/mol. Its IUPAC name is N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide.

Molecular Properties

• Compound Name: N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide
• PubChem CID: 16992920
• Molecular Formula: C30H35N3O3
• Molecular Weight: 485.63 g/mol
• Exact Mass: 485.27
• IUPAC Name: N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide
• SMILES: Cc1cccc(OCCCn2c(CCCCCNC(=O)COc3ccccc3)nc3ccccc32)c1
• InChI: InChI=1S/C30H35N3O3/c1-24-12-10-15-26(22-24)35-21-11-20-33-28-17-8-7-16-27(28)32-29(33)18-6-3-9-19-31-30(34)23-36-25-13-4-2-5-14-25/h2,4-5,7-8,10,12-17,22H,3,6,9,11,18-21,23H2,1H3,(H,31,34)
• InChIKey: PMSRKKOWXGFIJN-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.63
LogP ≤ 5	5.72
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-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide?

The IUPAC name of N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide (CID 16992920) is N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide.

What is the SMILES notation for N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide?

The canonical SMILES for N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide is Cc1cccc(OCCCn2c(CCCCCNC(=O)COc3ccccc3)nc3ccccc32)c1.

What is the InChIKey of N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide?

The InChIKey is PMSRKKOWXGFIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O3/c1-24-12-10-15-26(22-24)35-21-11-20-33-28-17-8-7-16-27(28)32-29(33)18-6-3-9-19-31-30(34)23-36-25-13-4-2-5-14-25/h2,4-5,7-8,10,12-17,22H,3,6,9,11,18-21,23H2,1H3,(H,31,34).

What are the key properties of N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide?

N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide has a molecular weight of 485.63 g/mol, XLogP of 5.72, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide is sourced from PubChem (CID 16992920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).