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

C37H41N3O2 — CID 16994346

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

2-(4-phenylphenyl)-N-[5-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide (PubChem CID 16994346) has the molecular formula C37H41N3O2 and a molecular weight of 559.75 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-N-[5-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-phenylphenyl)-N-[5-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
• PubChem CID: 16994346
• Molecular Formula: C37H41N3O2
• Molecular Weight: 559.75 g/mol
• Exact Mass: 559.32
• IUPAC Name: 2-(4-phenylphenyl)-N-[5-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
• SMILES: CC(C)c1ccccc1OCCn1c(CCCCCNC(=O)Cc2ccc(-c3ccccc3)cc2)nc2ccccc21
• InChI: InChI=1S/C37H41N3O2/c1-28(2)32-15-8-11-18-35(32)42-26-25-40-34-17-10-9-16-33(34)39-36(40)19-7-4-12-24-38-37(41)27-29-20-22-31(23-21-29)30-13-5-3-6-14-30/h3,5-6,8-11,13-18,20-23,28H,4,7,12,19,24-27H2,1-2H3,(H,38,41)
• InChIKey: IXCUNDCMVZWBJH-UHFFFAOYSA-N
• XLogP: 7.98
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.75
LogP ≤ 5	7.98
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-(4-phenylphenyl)-N-[5-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide?

The IUPAC name of 2-(4-phenylphenyl)-N-[5-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide (CID 16994346) is 2-(4-phenylphenyl)-N-[5-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide.

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

The canonical SMILES for 2-(4-phenylphenyl)-N-[5-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide is CC(C)c1ccccc1OCCn1c(CCCCCNC(=O)Cc2ccc(-c3ccccc3)cc2)nc2ccccc21.

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

The InChIKey is IXCUNDCMVZWBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H41N3O2/c1-28(2)32-15-8-11-18-35(32)42-26-25-40-34-17-10-9-16-33(34)39-36(40)19-7-4-12-24-38-37(41)27-29-20-22-31(23-21-29)30-13-5-3-6-14-30/h3,5-6,8-11,13-18,20-23,28H,4,7,12,19,24-27H2,1-2H3,(H,38,41).

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

2-(4-phenylphenyl)-N-[5-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide has a molecular weight of 559.75 g/mol, XLogP of 7.98, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-phenylphenyl)-N-[5-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide is sourced from PubChem (CID 16994346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).