N-[5-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]pentyl]-3-phenylpropanamide

C34H37N3O2 — CID 16992610

About N-[5-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]pentyl]-3-phenylpropanamide

N-[5-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]pentyl]-3-phenylpropanamide (PubChem CID 16992610) has the molecular formula C34H37N3O2 and a molecular weight of 519.69 g/mol. Its IUPAC name is N-[5-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]pentyl]-3-phenylpropanamide.

Molecular Properties

• Compound Name: N-[5-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]pentyl]-3-phenylpropanamide
• PubChem CID: 16992610
• Molecular Formula: C34H37N3O2
• Molecular Weight: 519.69 g/mol
• Exact Mass: 519.29
• IUPAC Name: N-[5-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]pentyl]-3-phenylpropanamide
• SMILES: O=C(CCc1ccccc1)NCCCCCc1nc2ccccc2n1CCCOc1ccc2ccccc2c1
• InChI: InChI=1S/C34H37N3O2/c38-34(22-19-27-12-3-1-4-13-27)35-23-10-2-5-18-33-36-31-16-8-9-17-32(31)37(33)24-11-25-39-30-21-20-28-14-6-7-15-29(28)26-30/h1,3-4,6-9,12-17,20-21,26H,2,5,10-11,18-19,22-25H2,(H,35,38)
• InChIKey: JXFWKZVFAQPECH-UHFFFAOYSA-N
• XLogP: 7.12
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.69
LogP ≤ 5	7.12
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-naphthalen-2-yloxypropyl)benzimidazol-2-yl]pentyl]-3-phenylpropanamide?

The IUPAC name of N-[5-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]pentyl]-3-phenylpropanamide (CID 16992610) is N-[5-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]pentyl]-3-phenylpropanamide.

What is the SMILES notation for N-[5-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]pentyl]-3-phenylpropanamide?

The canonical SMILES for N-[5-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]pentyl]-3-phenylpropanamide is O=C(CCc1ccccc1)NCCCCCc1nc2ccccc2n1CCCOc1ccc2ccccc2c1.

What is the InChIKey of N-[5-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]pentyl]-3-phenylpropanamide?

The InChIKey is JXFWKZVFAQPECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N3O2/c38-34(22-19-27-12-3-1-4-13-27)35-23-10-2-5-18-33-36-31-16-8-9-17-32(31)37(33)24-11-25-39-30-21-20-28-14-6-7-15-29(28)26-30/h1,3-4,6-9,12-17,20-21,26H,2,5,10-11,18-19,22-25H2,(H,35,38).

What are the key properties of N-[5-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]pentyl]-3-phenylpropanamide?

N-[5-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]pentyl]-3-phenylpropanamide has a molecular weight of 519.69 g/mol, XLogP of 7.12, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]pentyl]-3-phenylpropanamide is sourced from PubChem (CID 16992610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).