4-methoxy-N-[5-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide

C28H31N3O3 — CID 16991253

About 4-methoxy-N-[5-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide

4-methoxy-N-[5-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide (PubChem CID 16991253) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is 4-methoxy-N-[5-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide.

Molecular Properties

• Compound Name: 4-methoxy-N-[5-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
• PubChem CID: 16991253
• Molecular Formula: C28H31N3O3
• Molecular Weight: 457.57 g/mol
• Exact Mass: 457.24
• IUPAC Name: 4-methoxy-N-[5-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
• SMILES: COc1ccc(C(=O)NCCCCCc2nc3ccccc3n2Cc2ccccc2OC)cc1
• InChI: InChI=1S/C28H31N3O3/c1-33-23-17-15-21(16-18-23)28(32)29-19-9-3-4-14-27-30-24-11-6-7-12-25(24)31(27)20-22-10-5-8-13-26(22)34-2/h5-8,10-13,15-18H,3-4,9,14,19-20H2,1-2H3,(H,29,32)
• InChIKey: FYEYRFJHCKLOHH-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.57
LogP ≤ 5	5.24
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 4-methoxy-N-[5-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide?

The IUPAC name of 4-methoxy-N-[5-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide (CID 16991253) is 4-methoxy-N-[5-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide.

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

The canonical SMILES for 4-methoxy-N-[5-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide is COc1ccc(C(=O)NCCCCCc2nc3ccccc3n2Cc2ccccc2OC)cc1.

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

The InChIKey is FYEYRFJHCKLOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3/c1-33-23-17-15-21(16-18-23)28(32)29-19-9-3-4-14-27-30-24-11-6-7-12-25(24)31(27)20-22-10-5-8-13-26(22)34-2/h5-8,10-13,15-18H,3-4,9,14,19-20H2,1-2H3,(H,29,32).

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

4-methoxy-N-[5-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide has a molecular weight of 457.57 g/mol, XLogP of 5.24, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N-[5-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide is sourced from PubChem (CID 16991253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).