N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-(2,5-dimethylphenoxy)acetamide

C27H35N3O2 — CID 16972075

About N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-(2,5-dimethylphenoxy)acetamide

N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-(2,5-dimethylphenoxy)acetamide (PubChem CID 16972075) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-(2,5-dimethylphenoxy)acetamide.

Molecular Properties

• Compound Name: N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-(2,5-dimethylphenoxy)acetamide
• PubChem CID: 16972075
• Molecular Formula: C27H35N3O2
• Molecular Weight: 433.60 g/mol
• Exact Mass: 433.27
• IUPAC Name: N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-(2,5-dimethylphenoxy)acetamide
• SMILES: Cc1ccc(C)c(OCC(=O)NC(C)c2nc3ccccc3n2CCC2CCCCC2)c1
• InChI: InChI=1S/C27H35N3O2/c1-19-13-14-20(2)25(17-19)32-18-26(31)28-21(3)27-29-23-11-7-8-12-24(23)30(27)16-15-22-9-5-4-6-10-22/h7-8,11-14,17,21-22H,4-6,9-10,15-16,18H2,1-3H3,(H,28,31)
• InChIKey: LVNIASNFTZMETG-UHFFFAOYSA-N
• XLogP: 5.88
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.60
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-(2,5-dimethylphenoxy)acetamide?

The IUPAC name of N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-(2,5-dimethylphenoxy)acetamide (CID 16972075) is N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-(2,5-dimethylphenoxy)acetamide.

What is the SMILES notation for N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-(2,5-dimethylphenoxy)acetamide?

The canonical SMILES for N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-(2,5-dimethylphenoxy)acetamide is Cc1ccc(C)c(OCC(=O)NC(C)c2nc3ccccc3n2CCC2CCCCC2)c1.

What is the InChIKey of N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-(2,5-dimethylphenoxy)acetamide?

The InChIKey is LVNIASNFTZMETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O2/c1-19-13-14-20(2)25(17-19)32-18-26(31)28-21(3)27-29-23-11-7-8-12-24(23)30(27)16-15-22-9-5-4-6-10-22/h7-8,11-14,17,21-22H,4-6,9-10,15-16,18H2,1-3H3,(H,28,31).

What are the key properties of N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-(2,5-dimethylphenoxy)acetamide?

N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-(2,5-dimethylphenoxy)acetamide has a molecular weight of 433.60 g/mol, XLogP of 5.88, 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-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-(2,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 16972075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).