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

C33H41N3O2 — CID 16993443

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

2-phenyl-N-[5-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide (PubChem CID 16993443) has the molecular formula C33H41N3O2 and a molecular weight of 511.71 g/mol. Its IUPAC name is 2-phenyl-N-[5-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide.

Molecular Properties

• Compound Name: 2-phenyl-N-[5-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide
• PubChem CID: 16993443
• Molecular Formula: C33H41N3O2
• Molecular Weight: 511.71 g/mol
• Exact Mass: 511.32
• IUPAC Name: 2-phenyl-N-[5-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide
• SMILES: CC(C)c1ccc(OCCCCn2c(CCCCCNC(=O)Cc3ccccc3)nc3ccccc32)cc1
• InChI: InChI=1S/C33H41N3O2/c1-26(2)28-18-20-29(21-19-28)38-24-12-11-23-36-31-16-9-8-15-30(31)35-32(36)17-7-4-10-22-34-33(37)25-27-13-5-3-6-14-27/h3,5-6,8-9,13-16,18-21,26H,4,7,10-12,17,22-25H2,1-2H3,(H,34,37)
• InChIKey: YDJWNDKBAAYNKN-UHFFFAOYSA-N
• XLogP: 7.09
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 15
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.71
LogP ≤ 5	7.09
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-phenyl-N-[5-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide?

The IUPAC name of 2-phenyl-N-[5-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide (CID 16993443) is 2-phenyl-N-[5-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide.

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

The canonical SMILES for 2-phenyl-N-[5-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide is CC(C)c1ccc(OCCCCn2c(CCCCCNC(=O)Cc3ccccc3)nc3ccccc32)cc1.

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

The InChIKey is YDJWNDKBAAYNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41N3O2/c1-26(2)28-18-20-29(21-19-28)38-24-12-11-23-36-31-16-9-8-15-30(31)35-32(36)17-7-4-10-22-34-33(37)25-27-13-5-3-6-14-27/h3,5-6,8-9,13-16,18-21,26H,4,7,10-12,17,22-25H2,1-2H3,(H,34,37).

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

2-phenyl-N-[5-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide has a molecular weight of 511.71 g/mol, XLogP of 7.09, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-N-[5-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide is sourced from PubChem (CID 16993443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).