2-fluoro-N-[3-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide

C30H34FN3O2 — CID 16983106

About 2-fluoro-N-[3-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide

2-fluoro-N-[3-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide (PubChem CID 16983106) has the molecular formula C30H34FN3O2 and a molecular weight of 487.62 g/mol. Its IUPAC name is 2-fluoro-N-[3-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide.

Molecular Properties

• Compound Name: 2-fluoro-N-[3-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
• PubChem CID: 16983106
• Molecular Formula: C30H34FN3O2
• Molecular Weight: 487.62 g/mol
• Exact Mass: 487.26
• IUPAC Name: 2-fluoro-N-[3-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
• SMILES: CC(C)c1ccc(OCCCCn2c(CCCNC(=O)c3ccccc3F)nc3ccccc32)cc1
• InChI: InChI=1S/C30H34FN3O2/c1-22(2)23-15-17-24(18-16-23)36-21-8-7-20-34-28-13-6-5-12-27(28)33-29(34)14-9-19-32-30(35)25-10-3-4-11-26(25)31/h3-6,10-13,15-18,22H,7-9,14,19-21H2,1-2H3,(H,32,35)
• InChIKey: FCQWMJJPSDZMIT-UHFFFAOYSA-N
• XLogP: 6.52
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.62
LogP ≤ 5	6.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide?

The IUPAC name of 2-fluoro-N-[3-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide (CID 16983106) is 2-fluoro-N-[3-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide.

What is the SMILES notation for 2-fluoro-N-[3-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide?

The canonical SMILES for 2-fluoro-N-[3-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide is CC(C)c1ccc(OCCCCn2c(CCCNC(=O)c3ccccc3F)nc3ccccc32)cc1.

What is the InChIKey of 2-fluoro-N-[3-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide?

The InChIKey is FCQWMJJPSDZMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FN3O2/c1-22(2)23-15-17-24(18-16-23)36-21-8-7-20-34-28-13-6-5-12-27(28)33-29(34)14-9-19-32-30(35)25-10-3-4-11-26(25)31/h3-6,10-13,15-18,22H,7-9,14,19-21H2,1-2H3,(H,32,35).

What are the key properties of 2-fluoro-N-[3-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide?

2-fluoro-N-[3-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide has a molecular weight of 487.62 g/mol, XLogP of 6.52, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-[3-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide is sourced from PubChem (CID 16983106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).