3,4,5-trimethoxy-N-[5-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pentyl]benzamide

C29H38N4O5 — CID 16991194

About 3,4,5-trimethoxy-N-[5-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pentyl]benzamide

3,4,5-trimethoxy-N-[5-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pentyl]benzamide (PubChem CID 16991194) has the molecular formula C29H38N4O5 and a molecular weight of 522.65 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[5-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pentyl]benzamide.

Molecular Properties

• Compound Name: 3,4,5-trimethoxy-N-[5-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pentyl]benzamide
• PubChem CID: 16991194
• Molecular Formula: C29H38N4O5
• Molecular Weight: 522.65 g/mol
• Exact Mass: 522.28
• IUPAC Name: 3,4,5-trimethoxy-N-[5-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pentyl]benzamide
• SMILES: COc1cc(C(=O)NCCCCCc2nc3ccccc3n2CC(=O)N2CCCCC2)cc(OC)c1OC
• InChI: InChI=1S/C29H38N4O5/c1-36-24-18-21(19-25(37-2)28(24)38-3)29(35)30-15-9-4-6-14-26-31-22-12-7-8-13-23(22)33(26)20-27(34)32-16-10-5-11-17-32/h7-8,12-13,18-19H,4-6,9-11,14-17,20H2,1-3H3,(H,30,35)
• InChIKey: ASNJQKXWQNYUEC-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 94.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.65
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[5-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pentyl]benzamide?

The IUPAC name of 3,4,5-trimethoxy-N-[5-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pentyl]benzamide (CID 16991194) is 3,4,5-trimethoxy-N-[5-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pentyl]benzamide.

What is the SMILES notation for 3,4,5-trimethoxy-N-[5-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pentyl]benzamide?

The canonical SMILES for 3,4,5-trimethoxy-N-[5-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pentyl]benzamide is COc1cc(C(=O)NCCCCCc2nc3ccccc3n2CC(=O)N2CCCCC2)cc(OC)c1OC.

What is the InChIKey of 3,4,5-trimethoxy-N-[5-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pentyl]benzamide?

The InChIKey is ASNJQKXWQNYUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O5/c1-36-24-18-21(19-25(37-2)28(24)38-3)29(35)30-15-9-4-6-14-26-31-22-12-7-8-13-23(22)33(26)20-27(34)32-16-10-5-11-17-32/h7-8,12-13,18-19H,4-6,9-11,14-17,20H2,1-3H3,(H,30,35).

What are the key properties of 3,4,5-trimethoxy-N-[5-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pentyl]benzamide?

3,4,5-trimethoxy-N-[5-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pentyl]benzamide has a molecular weight of 522.65 g/mol, XLogP of 4.22, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4,5-trimethoxy-N-[5-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pentyl]benzamide is sourced from PubChem (CID 16991194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).