4-methoxy-N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide

C31H37N3O4 — CID 16991331

About 4-methoxy-N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide

4-methoxy-N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide (PubChem CID 16991331) has the molecular formula C31H37N3O4 and a molecular weight of 515.65 g/mol. Its IUPAC name is 4-methoxy-N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide.

Molecular Properties

• Compound Name: 4-methoxy-N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
• PubChem CID: 16991331
• Molecular Formula: C31H37N3O4
• Molecular Weight: 515.65 g/mol
• Exact Mass: 515.28
• IUPAC Name: 4-methoxy-N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
• SMILES: COc1ccc(C(=O)NCCCCCc2nc3ccccc3n2CCCCOc2cccc(OC)c2)cc1
• InChI: InChI=1S/C31H37N3O4/c1-36-25-18-16-24(17-19-25)31(35)32-20-7-3-4-15-30-33-28-13-5-6-14-29(28)34(30)21-8-9-22-38-27-12-10-11-26(23-27)37-2/h5-6,10-14,16-19,23H,3-4,7-9,15,20-22H2,1-2H3,(H,32,35)
• InChIKey: BRJRLGGVEKOVIX-UHFFFAOYSA-N
• XLogP: 6.06
• TPSA: 74.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.65
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide?

The IUPAC name of 4-methoxy-N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide (CID 16991331) is 4-methoxy-N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide.

What is the SMILES notation for 4-methoxy-N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide?

The canonical SMILES for 4-methoxy-N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide is COc1ccc(C(=O)NCCCCCc2nc3ccccc3n2CCCCOc2cccc(OC)c2)cc1.

What is the InChIKey of 4-methoxy-N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide?

The InChIKey is BRJRLGGVEKOVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N3O4/c1-36-25-18-16-24(17-19-25)31(35)32-20-7-3-4-15-30-33-28-13-5-6-14-29(28)34(30)21-8-9-22-38-27-12-10-11-26(23-27)37-2/h5-6,10-14,16-19,23H,3-4,7-9,15,20-22H2,1-2H3,(H,32,35).

What are the key properties of 4-methoxy-N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide?

4-methoxy-N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide has a molecular weight of 515.65 g/mol, XLogP of 6.06, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide is sourced from PubChem (CID 16991331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).