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

C29H33N3O2 — CID 17006853

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

2-methyl-N-[[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide (PubChem CID 17006853) has the molecular formula C29H33N3O2 and a molecular weight of 455.60 g/mol. Its IUPAC name is 2-methyl-N-[[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

• Compound Name: 2-methyl-N-[[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
• PubChem CID: 17006853
• Molecular Formula: C29H33N3O2
• Molecular Weight: 455.60 g/mol
• Exact Mass: 455.26
• IUPAC Name: 2-methyl-N-[[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
• SMILES: Cc1ccc(C(C)C)c(OCCCn2c(CNC(=O)c3ccccc3C)nc3ccccc32)c1
• InChI: InChI=1S/C29H33N3O2/c1-20(2)23-15-14-21(3)18-27(23)34-17-9-16-32-26-13-8-7-12-25(26)31-28(32)19-30-29(33)24-11-6-5-10-22(24)4/h5-8,10-15,18,20H,9,16-17,19H2,1-4H3,(H,30,33)
• InChIKey: HZCJKXSDWIOROZ-UHFFFAOYSA-N
• XLogP: 6.18
• 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	455.60
LogP ≤ 5	6.18
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-methyl-N-[[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide?

The IUPAC name of 2-methyl-N-[[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide (CID 17006853) is 2-methyl-N-[[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide.

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

The canonical SMILES for 2-methyl-N-[[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide is Cc1ccc(C(C)C)c(OCCCn2c(CNC(=O)c3ccccc3C)nc3ccccc32)c1.

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

The InChIKey is HZCJKXSDWIOROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O2/c1-20(2)23-15-14-21(3)18-27(23)34-17-9-16-32-26-13-8-7-12-25(26)31-28(32)19-30-29(33)24-11-6-5-10-22(24)4/h5-8,10-15,18,20H,9,16-17,19H2,1-4H3,(H,30,33).

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

2-methyl-N-[[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide has a molecular weight of 455.60 g/mol, XLogP of 6.18, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17006853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).