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

C26H35N3O2 — CID 16974343

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

N-[2-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]propanamide (PubChem CID 16974343) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is N-[2-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]propanamide.

Molecular Properties

• Compound Name: N-[2-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]propanamide
• PubChem CID: 16974343
• Molecular Formula: C26H35N3O2
• Molecular Weight: 421.59 g/mol
• Exact Mass: 421.27
• IUPAC Name: N-[2-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]propanamide
• SMILES: CCC(=O)NCCc1nc2ccccc2n1CCCCOc1cc(C)ccc1C(C)C
• InChI: InChI=1S/C26H35N3O2/c1-5-26(30)27-15-14-25-28-22-10-6-7-11-23(22)29(25)16-8-9-17-31-24-18-20(4)12-13-21(24)19(2)3/h6-7,10-13,18-19H,5,8-9,14-17H2,1-4H3,(H,27,30)
• InChIKey: MLDWENZZLVFWJU-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	421.59
LogP ≤ 5	5.40
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 N-[2-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]propanamide?

The IUPAC name of N-[2-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]propanamide (CID 16974343) is N-[2-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]propanamide.

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

The canonical SMILES for N-[2-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]propanamide is CCC(=O)NCCc1nc2ccccc2n1CCCCOc1cc(C)ccc1C(C)C.

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

The InChIKey is MLDWENZZLVFWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-5-26(30)27-15-14-25-28-22-10-6-7-11-23(22)29(25)16-8-9-17-31-24-18-20(4)12-13-21(24)19(2)3/h6-7,10-13,18-19H,5,8-9,14-17H2,1-4H3,(H,27,30).

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

N-[2-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]propanamide has a molecular weight of 421.59 g/mol, XLogP of 5.40, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]propanamide is sourced from PubChem (CID 16974343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).