2-phenoxy-N-[5-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide

C30H35N3O2 — CID 16992872

About 2-phenoxy-N-[5-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide

2-phenoxy-N-[5-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide (PubChem CID 16992872) has the molecular formula C30H35N3O2 and a molecular weight of 469.63 g/mol. Its IUPAC name is 2-phenoxy-N-[5-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide.

Molecular Properties

• Compound Name: 2-phenoxy-N-[5-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
• PubChem CID: 16992872
• Molecular Formula: C30H35N3O2
• Molecular Weight: 469.63 g/mol
• Exact Mass: 469.27
• IUPAC Name: 2-phenoxy-N-[5-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
• SMILES: CC(C)c1ccc(Cn2c(CCCCCNC(=O)COc3ccccc3)nc3ccccc32)cc1
• InChI: InChI=1S/C30H35N3O2/c1-23(2)25-18-16-24(17-19-25)21-33-28-14-9-8-13-27(28)32-29(33)15-7-4-10-20-31-30(34)22-35-26-11-5-3-6-12-26/h3,5-6,8-9,11-14,16-19,23H,4,7,10,15,20-22H2,1-2H3,(H,31,34)
• InChIKey: BVLXYGPLXSHKHB-UHFFFAOYSA-N
• XLogP: 6.12
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.63
LogP ≤ 5	6.12
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 2-phenoxy-N-[5-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide?

The IUPAC name of 2-phenoxy-N-[5-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide (CID 16992872) is 2-phenoxy-N-[5-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide.

What is the SMILES notation for 2-phenoxy-N-[5-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide?

The canonical SMILES for 2-phenoxy-N-[5-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide is CC(C)c1ccc(Cn2c(CCCCCNC(=O)COc3ccccc3)nc3ccccc32)cc1.

What is the InChIKey of 2-phenoxy-N-[5-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide?

The InChIKey is BVLXYGPLXSHKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O2/c1-23(2)25-18-16-24(17-19-25)21-33-28-14-9-8-13-27(28)32-29(33)15-7-4-10-20-31-30(34)22-35-26-11-5-3-6-12-26/h3,5-6,8-9,11-14,16-19,23H,4,7,10,15,20-22H2,1-2H3,(H,31,34).

What are the key properties of 2-phenoxy-N-[5-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide?

2-phenoxy-N-[5-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide has a molecular weight of 469.63 g/mol, XLogP of 6.12, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenoxy-N-[5-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide is sourced from PubChem (CID 16992872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).