2-fluoro-N-[3-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide

C30H34FN3O2 — CID 16983062

About 2-fluoro-N-[3-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide

2-fluoro-N-[3-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide (PubChem CID 16983062) has the molecular formula C30H34FN3O2 and a molecular weight of 487.62 g/mol. Its IUPAC name is 2-fluoro-N-[3-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide.

Molecular Properties

• Compound Name: 2-fluoro-N-[3-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
• PubChem CID: 16983062
• Molecular Formula: C30H34FN3O2
• Molecular Weight: 487.62 g/mol
• Exact Mass: 487.26
• IUPAC Name: 2-fluoro-N-[3-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
• SMILES: Cc1ccc(C(C)C)c(OCCCn2c(CCCNC(=O)c3ccccc3F)nc3ccccc32)c1
• InChI: InChI=1S/C30H34FN3O2/c1-21(2)23-16-15-22(3)20-28(23)36-19-9-18-34-27-13-7-6-12-26(27)33-29(34)14-8-17-32-30(35)24-10-4-5-11-25(24)31/h4-7,10-13,15-16,20-21H,8-9,14,17-19H2,1-3H3,(H,32,35)
• InChIKey: UJYTVJPOHDCGAP-UHFFFAOYSA-N
• XLogP: 6.44
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.62
LogP ≤ 5	6.44
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-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide?

The IUPAC name of 2-fluoro-N-[3-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide (CID 16983062) is 2-fluoro-N-[3-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide.

What is the SMILES notation for 2-fluoro-N-[3-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide?

The canonical SMILES for 2-fluoro-N-[3-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide is Cc1ccc(C(C)C)c(OCCCn2c(CCCNC(=O)c3ccccc3F)nc3ccccc32)c1.

What is the InChIKey of 2-fluoro-N-[3-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide?

The InChIKey is UJYTVJPOHDCGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FN3O2/c1-21(2)23-16-15-22(3)20-28(23)36-19-9-18-34-27-13-7-6-12-26(27)33-29(34)14-8-17-32-30(35)24-10-4-5-11-25(24)31/h4-7,10-13,15-16,20-21H,8-9,14,17-19H2,1-3H3,(H,32,35).

What are the key properties of 2-fluoro-N-[3-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide?

2-fluoro-N-[3-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide has a molecular weight of 487.62 g/mol, XLogP of 6.44, 11 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-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide is sourced from PubChem (CID 16983062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).