2-(2,5-dimethylphenoxy)-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide

C32H39N3O2 — CID 16993020

About 2-(2,5-dimethylphenoxy)-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide

2-(2,5-dimethylphenoxy)-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide (PubChem CID 16993020) has the molecular formula C32H39N3O2 and a molecular weight of 497.68 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide.

Molecular Properties

• Compound Name: 2-(2,5-dimethylphenoxy)-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
• PubChem CID: 16993020
• Molecular Formula: C32H39N3O2
• Molecular Weight: 497.68 g/mol
• Exact Mass: 497.30
• IUPAC Name: 2-(2,5-dimethylphenoxy)-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
• SMILES: Cc1cc(C)c(Cn2c(CCCCCNC(=O)COc3cc(C)ccc3C)nc3ccccc32)c(C)c1
• InChI: InChI=1S/C32H39N3O2/c1-22-14-15-24(3)30(19-22)37-21-32(36)33-16-10-6-7-13-31-34-28-11-8-9-12-29(28)35(31)20-27-25(4)17-23(2)18-26(27)5/h8-9,11-12,14-15,17-19H,6-7,10,13,16,20-21H2,1-5H3,(H,33,36)
• InChIKey: YGRTXXAPEHIDNZ-UHFFFAOYSA-N
• XLogP: 6.53
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.68
LogP ≤ 5	6.53
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-(2,5-dimethylphenoxy)-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide?

The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide (CID 16993020) is 2-(2,5-dimethylphenoxy)-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide.

What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide?

The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide is Cc1cc(C)c(Cn2c(CCCCCNC(=O)COc3cc(C)ccc3C)nc3ccccc32)c(C)c1.

What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide?

The InChIKey is YGRTXXAPEHIDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N3O2/c1-22-14-15-24(3)30(19-22)37-21-32(36)33-16-10-6-7-13-31-34-28-11-8-9-12-29(28)35(31)20-27-25(4)17-23(2)18-26(27)5/h8-9,11-12,14-15,17-19H,6-7,10,13,16,20-21H2,1-5H3,(H,33,36).

What are the key properties of 2-(2,5-dimethylphenoxy)-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide?

2-(2,5-dimethylphenoxy)-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide has a molecular weight of 497.68 g/mol, XLogP of 6.53, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,5-dimethylphenoxy)-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide is sourced from PubChem (CID 16993020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).