N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide

C27H37N3O2 — CID 16988720

About N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide

N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide (PubChem CID 16988720) has the molecular formula C27H37N3O2 and a molecular weight of 435.61 g/mol. Its IUPAC name is N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide
• PubChem CID: 16988720
• Molecular Formula: C27H37N3O2
• Molecular Weight: 435.61 g/mol
• Exact Mass: 435.29
• IUPAC Name: N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide
• SMILES: CCc1ccc(OCCCn2c(CCCCCNC(=O)C(C)C)nc3ccccc32)cc1
• InChI: InChI=1S/C27H37N3O2/c1-4-22-14-16-23(17-15-22)32-20-10-19-30-25-12-8-7-11-24(25)29-26(30)13-6-5-9-18-28-27(31)21(2)3/h7-8,11-12,14-17,21H,4-6,9-10,13,18-20H2,1-3H3,(H,28,31)
• InChIKey: GHDDWJZBXKFZEM-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.61
LogP ≤ 5	5.55
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-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide?

The IUPAC name of N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide (CID 16988720) is N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide.

What is the SMILES notation for N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide?

The canonical SMILES for N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide is CCc1ccc(OCCCn2c(CCCCCNC(=O)C(C)C)nc3ccccc32)cc1.

What is the InChIKey of N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide?

The InChIKey is GHDDWJZBXKFZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O2/c1-4-22-14-16-23(17-15-22)32-20-10-19-30-25-12-8-7-11-24(25)29-26(30)13-6-5-9-18-28-27(31)21(2)3/h7-8,11-12,14-17,21H,4-6,9-10,13,18-20H2,1-3H3,(H,28,31).

What are the key properties of N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide?

N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide has a molecular weight of 435.61 g/mol, XLogP of 5.55, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide is sourced from PubChem (CID 16988720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).