N-[5-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide

C30H34ClN3O2 — CID 16993567

About N-[5-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide

N-[5-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide (PubChem CID 16993567) has the molecular formula C30H34ClN3O2 and a molecular weight of 504.07 g/mol. Its IUPAC name is N-[5-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[5-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide
• PubChem CID: 16993567
• Molecular Formula: C30H34ClN3O2
• Molecular Weight: 504.07 g/mol
• Exact Mass: 503.23
• IUPAC Name: N-[5-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide
• SMILES: Cc1ccccc1CC(=O)NCCCCCc1nc2ccccc2n1CCCOc1ccccc1Cl
• InChI: InChI=1S/C30H34ClN3O2/c1-23-12-4-5-13-24(23)22-30(35)32-19-10-2-3-18-29-33-26-15-7-8-16-27(26)34(29)20-11-21-36-28-17-9-6-14-25(28)31/h4-9,12-17H,2-3,10-11,18-22H2,1H3,(H,32,35)
• InChIKey: VKRBNBBUIIYTOE-UHFFFAOYSA-N
• XLogP: 6.54
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.07
LogP ≤ 5	6.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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-(2-chlorophenoxy)propyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide?

The IUPAC name of N-[5-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide (CID 16993567) is N-[5-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide.

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

The canonical SMILES for N-[5-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)NCCCCCc1nc2ccccc2n1CCCOc1ccccc1Cl.

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

The InChIKey is VKRBNBBUIIYTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34ClN3O2/c1-23-12-4-5-13-24(23)22-30(35)32-19-10-2-3-18-29-33-26-15-7-8-16-27(26)34(29)20-11-21-36-28-17-9-6-14-25(28)31/h4-9,12-17H,2-3,10-11,18-22H2,1H3,(H,32,35).

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

N-[5-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide has a molecular weight of 504.07 g/mol, XLogP of 6.54, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 16993567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).