N-[5-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-(4-phenylphenyl)acetamide

C38H43N3O2 — CID 16994345

About N-[5-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-(4-phenylphenyl)acetamide

N-[5-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-(4-phenylphenyl)acetamide (PubChem CID 16994345) has the molecular formula C38H43N3O2 and a molecular weight of 573.78 g/mol. Its IUPAC name is N-[5-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[5-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-(4-phenylphenyl)acetamide
• PubChem CID: 16994345
• Molecular Formula: C38H43N3O2
• Molecular Weight: 573.78 g/mol
• Exact Mass: 573.34
• IUPAC Name: N-[5-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-(4-phenylphenyl)acetamide
• SMILES: Cc1ccc(C(C)C)c(OCCn2c(CCCCCNC(=O)Cc3ccc(-c4ccccc4)cc3)nc3ccccc32)c1
• InChI: InChI=1S/C38H43N3O2/c1-28(2)33-22-17-29(3)26-36(33)43-25-24-41-35-15-10-9-14-34(35)40-37(41)16-8-5-11-23-39-38(42)27-30-18-20-32(21-19-30)31-12-6-4-7-13-31/h4,6-7,9-10,12-15,17-22,26,28H,5,8,11,16,23-25,27H2,1-3H3,(H,39,42)
• InChIKey: IUWGEKDLQSJHOH-UHFFFAOYSA-N
• XLogP: 8.29
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.78
LogP ≤ 5	8.29
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-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-(4-phenylphenyl)acetamide?

The IUPAC name of N-[5-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-(4-phenylphenyl)acetamide (CID 16994345) is N-[5-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-(4-phenylphenyl)acetamide.

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

The canonical SMILES for N-[5-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-(4-phenylphenyl)acetamide is Cc1ccc(C(C)C)c(OCCn2c(CCCCCNC(=O)Cc3ccc(-c4ccccc4)cc3)nc3ccccc32)c1.

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

The InChIKey is IUWGEKDLQSJHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H43N3O2/c1-28(2)33-22-17-29(3)26-36(33)43-25-24-41-35-15-10-9-14-34(35)40-37(41)16-8-5-11-23-39-38(42)27-30-18-20-32(21-19-30)31-12-6-4-7-13-31/h4,6-7,9-10,12-15,17-22,26,28H,5,8,11,16,23-25,27H2,1-3H3,(H,39,42).

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

N-[5-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-(4-phenylphenyl)acetamide has a molecular weight of 573.78 g/mol, XLogP of 8.29, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 16994345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).