N-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide

C24H23ClN4O2 — CID 16966746

About N-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide

N-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide (PubChem CID 16966746) has the molecular formula C24H23ClN4O2 and a molecular weight of 434.93 g/mol. Its IUPAC name is N-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide
• PubChem CID: 16966746
• Molecular Formula: C24H23ClN4O2
• Molecular Weight: 434.93 g/mol
• Exact Mass: 434.15
• IUPAC Name: N-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide
• SMILES: CC(NC(=O)c1ccccn1)c1nc2ccccc2n1CCCOc1ccccc1Cl
• InChI: InChI=1S/C24H23ClN4O2/c1-17(27-24(30)20-11-6-7-14-26-20)23-28-19-10-3-4-12-21(19)29(23)15-8-16-31-22-13-5-2-9-18(22)25/h2-7,9-14,17H,8,15-16H2,1H3,(H,27,30)
• InChIKey: YFJCKEUEJSVXQO-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.93
LogP ≤ 5	5.04
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-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide?

The IUPAC name of N-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide (CID 16966746) is N-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide.

What is the SMILES notation for N-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide?

The canonical SMILES for N-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide is CC(NC(=O)c1ccccn1)c1nc2ccccc2n1CCCOc1ccccc1Cl.

What is the InChIKey of N-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide?

The InChIKey is YFJCKEUEJSVXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O2/c1-17(27-24(30)20-11-6-7-14-26-20)23-28-19-10-3-4-12-21(19)29(23)15-8-16-31-22-13-5-2-9-18(22)25/h2-7,9-14,17H,8,15-16H2,1H3,(H,27,30).

What are the key properties of N-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide?

N-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide has a molecular weight of 434.93 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 16966746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).