N-[5-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide

C31H37N3O3 — CID 16992597

About N-[5-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide

N-[5-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide (PubChem CID 16992597) has the molecular formula C31H37N3O3 and a molecular weight of 499.66 g/mol. Its IUPAC name is N-[5-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide.

Molecular Properties

• Compound Name: N-[5-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide
• PubChem CID: 16992597
• Molecular Formula: C31H37N3O3
• Molecular Weight: 499.66 g/mol
• Exact Mass: 499.28
• IUPAC Name: N-[5-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide
• SMILES: COc1cccc(OCCCn2c(CCCCCNC(=O)CCc3ccccc3)nc3ccccc32)c1
• InChI: InChI=1S/C31H37N3O3/c1-36-26-14-10-15-27(24-26)37-23-11-22-34-29-17-8-7-16-28(29)33-30(34)18-6-3-9-21-32-31(35)20-19-25-12-4-2-5-13-25/h2,4-5,7-8,10,12-17,24H,3,6,9,11,18-23H2,1H3,(H,32,35)
• InChIKey: YOLQWMGBGXVROQ-UHFFFAOYSA-N
• XLogP: 5.98
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 15
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.66
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide?

The IUPAC name of N-[5-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide (CID 16992597) is N-[5-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide.

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

The canonical SMILES for N-[5-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide is COc1cccc(OCCCn2c(CCCCCNC(=O)CCc3ccccc3)nc3ccccc32)c1.

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

The InChIKey is YOLQWMGBGXVROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N3O3/c1-36-26-14-10-15-27(24-26)37-23-11-22-34-29-17-8-7-16-28(29)33-30(34)18-6-3-9-21-32-31(35)20-19-25-12-4-2-5-13-25/h2,4-5,7-8,10,12-17,24H,3,6,9,11,18-23H2,1H3,(H,32,35).

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

N-[5-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide has a molecular weight of 499.66 g/mol, XLogP of 5.98, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide is sourced from PubChem (CID 16992597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).