N-[1-[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide

C26H35N3O2 — CID 16969370

About N-[1-[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide

N-[1-[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide (PubChem CID 16969370) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is N-[1-[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-[1-[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
• PubChem CID: 16969370
• Molecular Formula: C26H35N3O2
• Molecular Weight: 421.59 g/mol
• Exact Mass: 421.27
• IUPAC Name: N-[1-[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
• SMILES: CCC(C)c1ccc(OCCn2c(C(C)NC(=O)C(C)(C)C)nc3ccccc32)cc1
• InChI: InChI=1S/C26H35N3O2/c1-7-18(2)20-12-14-21(15-13-20)31-17-16-29-23-11-9-8-10-22(23)28-24(29)19(3)27-25(30)26(4,5)6/h8-15,18-19H,7,16-17H2,1-6H3,(H,27,30)
• InChIKey: VJNFQFIBEXWCLO-UHFFFAOYSA-N
• XLogP: 5.85
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	421.59
LogP ≤ 5	5.85
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-dimethylpropanamide?

The IUPAC name of N-[1-[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide (CID 16969370) is N-[1-[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide.

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

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

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

The InChIKey is VJNFQFIBEXWCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-7-18(2)20-12-14-21(15-13-20)31-17-16-29-23-11-9-8-10-22(23)28-24(29)19(3)27-25(30)26(4,5)6/h8-15,18-19H,7,16-17H2,1-6H3,(H,27,30).

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

N-[1-[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide has a molecular weight of 421.59 g/mol, XLogP of 5.85, 8 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-dimethylpropanamide is sourced from PubChem (CID 16969370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).