2-fluoro-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide

C27H28FN3O3 — CID 16983065

About 2-fluoro-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide

2-fluoro-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide (PubChem CID 16983065) has the molecular formula C27H28FN3O3 and a molecular weight of 461.54 g/mol. Its IUPAC name is 2-fluoro-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide.

Molecular Properties

• Compound Name: 2-fluoro-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
• PubChem CID: 16983065
• Molecular Formula: C27H28FN3O3
• Molecular Weight: 461.54 g/mol
• Exact Mass: 461.21
• IUPAC Name: 2-fluoro-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
• SMILES: COc1ccccc1OCCCn1c(CCCNC(=O)c2ccccc2F)nc2ccccc21
• InChI: InChI=1S/C27H28FN3O3/c1-33-24-14-6-7-15-25(24)34-19-9-18-31-23-13-5-4-12-22(23)30-26(31)16-8-17-29-27(32)20-10-2-3-11-21(20)28/h2-7,10-15H,8-9,16-19H2,1H3,(H,29,32)
• InChIKey: RQHBAHLPPIBIEU-UHFFFAOYSA-N
• XLogP: 5.02
• 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	461.54
LogP ≤ 5	5.02
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 2-fluoro-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide?

The IUPAC name of 2-fluoro-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide (CID 16983065) is 2-fluoro-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide.

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

The canonical SMILES for 2-fluoro-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide is COc1ccccc1OCCCn1c(CCCNC(=O)c2ccccc2F)nc2ccccc21.

What is the InChIKey of 2-fluoro-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide?

The InChIKey is RQHBAHLPPIBIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O3/c1-33-24-14-6-7-15-25(24)34-19-9-18-31-23-13-5-4-12-22(23)30-26(31)16-8-17-29-27(32)20-10-2-3-11-21(20)28/h2-7,10-15H,8-9,16-19H2,1H3,(H,29,32).

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

2-fluoro-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide has a molecular weight of 461.54 g/mol, XLogP of 5.02, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide is sourced from PubChem (CID 16983065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).