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

C28H30FN3O2 — CID 17007807

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

2-fluoro-N-[[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide (PubChem CID 17007807) has the molecular formula C28H30FN3O2 and a molecular weight of 459.57 g/mol. Its IUPAC name is 2-fluoro-N-[[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

• Compound Name: 2-fluoro-N-[[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
• PubChem CID: 17007807
• Molecular Formula: C28H30FN3O2
• Molecular Weight: 459.57 g/mol
• Exact Mass: 459.23
• IUPAC Name: 2-fluoro-N-[[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
• SMILES: Cc1ccc(C(C)C)c(OCCCn2c(CNC(=O)c3ccccc3F)nc3ccccc32)c1
• InChI: InChI=1S/C28H30FN3O2/c1-19(2)21-14-13-20(3)17-26(21)34-16-8-15-32-25-12-7-6-11-24(25)31-27(32)18-30-28(33)22-9-4-5-10-23(22)29/h4-7,9-14,17,19H,8,15-16,18H2,1-3H3,(H,30,33)
• InChIKey: FHIGJOUJKDCHQR-UHFFFAOYSA-N
• XLogP: 6.01
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.57
LogP ≤ 5	6.01
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-[[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide?

The IUPAC name of 2-fluoro-N-[[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide (CID 17007807) is 2-fluoro-N-[[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide.

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

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

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

The InChIKey is FHIGJOUJKDCHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN3O2/c1-19(2)21-14-13-20(3)17-26(21)34-16-8-15-32-25-12-7-6-11-24(25)31-27(32)18-30-28(33)22-9-4-5-10-23(22)29/h4-7,9-14,17,19H,8,15-16,18H2,1-3H3,(H,30,33).

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

2-fluoro-N-[[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide has a molecular weight of 459.57 g/mol, XLogP of 6.01, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-[[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17007807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).