4-methyl-N-[1-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide

C29H33N3O2 — CID 16967216

About 4-methyl-N-[1-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide

4-methyl-N-[1-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 16967216) has the molecular formula C29H33N3O2 and a molecular weight of 455.60 g/mol. Its IUPAC name is 4-methyl-N-[1-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 4-methyl-N-[1-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
• PubChem CID: 16967216
• Molecular Formula: C29H33N3O2
• Molecular Weight: 455.60 g/mol
• Exact Mass: 455.26
• IUPAC Name: 4-methyl-N-[1-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
• SMILES: Cc1ccc(C(=O)NC(C)c2nc3ccccc3n2CCOc2cc(C)ccc2C(C)C)cc1
• InChI: InChI=1S/C29H33N3O2/c1-19(2)24-15-12-21(4)18-27(24)34-17-16-32-26-9-7-6-8-25(26)31-28(32)22(5)30-29(33)23-13-10-20(3)11-14-23/h6-15,18-19,22H,16-17H2,1-5H3,(H,30,33)
• InChIKey: FFIMXEWAIONGJN-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.60
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide?

The IUPAC name of 4-methyl-N-[1-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide (CID 16967216) is 4-methyl-N-[1-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide.

What is the SMILES notation for 4-methyl-N-[1-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide?

The canonical SMILES for 4-methyl-N-[1-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide is Cc1ccc(C(=O)NC(C)c2nc3ccccc3n2CCOc2cc(C)ccc2C(C)C)cc1.

What is the InChIKey of 4-methyl-N-[1-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide?

The InChIKey is FFIMXEWAIONGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O2/c1-19(2)24-15-12-21(4)18-27(24)34-17-16-32-26-9-7-6-8-25(26)31-28(32)22(5)30-29(33)23-13-10-20(3)11-14-23/h6-15,18-19,22H,16-17H2,1-5H3,(H,30,33).

What are the key properties of 4-methyl-N-[1-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide?

4-methyl-N-[1-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 455.60 g/mol, XLogP of 6.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[1-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 16967216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).