N-[1-[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide

C30H35N3O2 — CID 16973220

About N-[1-[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide

N-[1-[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide (PubChem CID 16973220) has the molecular formula C30H35N3O2 and a molecular weight of 469.63 g/mol. Its IUPAC name is N-[1-[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[1-[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
• PubChem CID: 16973220
• Molecular Formula: C30H35N3O2
• Molecular Weight: 469.63 g/mol
• Exact Mass: 469.27
• IUPAC Name: N-[1-[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
• SMILES: CCC(C)c1ccc(OCCn2c(C(C)NC(=O)Cc3ccccc3C)nc3ccccc32)cc1
• InChI: InChI=1S/C30H35N3O2/c1-5-21(2)24-14-16-26(17-15-24)35-19-18-33-28-13-9-8-12-27(28)32-30(33)23(4)31-29(34)20-25-11-7-6-10-22(25)3/h6-17,21,23H,5,18-20H2,1-4H3,(H,31,34)
• InChIKey: MKEBHCXKWDBORF-UHFFFAOYSA-N
• XLogP: 6.36
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.63
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide?

The IUPAC name of N-[1-[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide (CID 16973220) is N-[1-[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide.

What is the SMILES notation for N-[1-[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide?

The canonical SMILES for N-[1-[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide is CCC(C)c1ccc(OCCn2c(C(C)NC(=O)Cc3ccccc3C)nc3ccccc32)cc1.

What is the InChIKey of N-[1-[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide?

The InChIKey is MKEBHCXKWDBORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O2/c1-5-21(2)24-14-16-26(17-15-24)35-19-18-33-28-13-9-8-12-27(28)32-30(33)23(4)31-29(34)20-25-11-7-6-10-22(25)3/h6-17,21,23H,5,18-20H2,1-4H3,(H,31,34).

What are the key properties of N-[1-[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide?

N-[1-[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide has a molecular weight of 469.63 g/mol, XLogP of 6.36, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 16973220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).