2-ethyl-N-[5-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]pentyl]butanamide

C30H43N3O2 — CID 16988513

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

2-ethyl-N-[5-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]pentyl]butanamide (PubChem CID 16988513) has the molecular formula C30H43N3O2 and a molecular weight of 477.69 g/mol. Its IUPAC name is 2-ethyl-N-[5-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]pentyl]butanamide.

Molecular Properties

• Compound Name: 2-ethyl-N-[5-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]pentyl]butanamide
• PubChem CID: 16988513
• Molecular Formula: C30H43N3O2
• Molecular Weight: 477.69 g/mol
• Exact Mass: 477.34
• IUPAC Name: 2-ethyl-N-[5-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]pentyl]butanamide
• SMILES: CCC(CC)C(=O)NCCCCCc1nc2ccccc2n1CCOc1cc(C)ccc1C(C)C
• InChI: InChI=1S/C30H43N3O2/c1-6-24(7-2)30(34)31-18-12-8-9-15-29-32-26-13-10-11-14-27(26)33(29)19-20-35-28-21-23(5)16-17-25(28)22(3)4/h10-11,13-14,16-17,21-22,24H,6-9,12,15,18-20H2,1-5H3,(H,31,34)
• InChIKey: DQBRUYOYYOPJEX-UHFFFAOYSA-N
• XLogP: 6.81
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.69
LogP ≤ 5	6.81
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-ethyl-N-[5-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]pentyl]butanamide?

The IUPAC name of 2-ethyl-N-[5-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]pentyl]butanamide (CID 16988513) is 2-ethyl-N-[5-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]pentyl]butanamide.

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

The canonical SMILES for 2-ethyl-N-[5-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]pentyl]butanamide is CCC(CC)C(=O)NCCCCCc1nc2ccccc2n1CCOc1cc(C)ccc1C(C)C.

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

The InChIKey is DQBRUYOYYOPJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43N3O2/c1-6-24(7-2)30(34)31-18-12-8-9-15-29-32-26-13-10-11-14-27(26)33(29)19-20-35-28-21-23(5)16-17-25(28)22(3)4/h10-11,13-14,16-17,21-22,24H,6-9,12,15,18-20H2,1-5H3,(H,31,34).

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

2-ethyl-N-[5-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]pentyl]butanamide has a molecular weight of 477.69 g/mol, XLogP of 6.81, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-N-[5-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]pentyl]butanamide is sourced from PubChem (CID 16988513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).