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

C25H33N3O2 — CID 16974358

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

N-[2-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]propanamide (PubChem CID 16974358) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[2-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]propanamide.

Molecular Properties

• Compound Name: N-[2-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]propanamide
• PubChem CID: 16974358
• Molecular Formula: C25H33N3O2
• Molecular Weight: 407.56 g/mol
• Exact Mass: 407.26
• IUPAC Name: N-[2-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]propanamide
• SMILES: CCC(=O)NCCc1nc2ccccc2n1CCCCOc1ccc(C(C)C)cc1
• InChI: InChI=1S/C25H33N3O2/c1-4-25(29)26-16-15-24-27-22-9-5-6-10-23(22)28(24)17-7-8-18-30-21-13-11-20(12-14-21)19(2)3/h5-6,9-14,19H,4,7-8,15-18H2,1-3H3,(H,26,29)
• InChIKey: UOCWWSJGLMERQC-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	407.56
LogP ≤ 5	5.09
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-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]propanamide?

The IUPAC name of N-[2-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]propanamide (CID 16974358) is N-[2-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]propanamide.

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

The canonical SMILES for N-[2-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]propanamide is CCC(=O)NCCc1nc2ccccc2n1CCCCOc1ccc(C(C)C)cc1.

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

The InChIKey is UOCWWSJGLMERQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-4-25(29)26-16-15-24-27-22-9-5-6-10-23(22)28(24)17-7-8-18-30-21-13-11-20(12-14-21)19(2)3/h5-6,9-14,19H,4,7-8,15-18H2,1-3H3,(H,26,29).

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

N-[2-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]propanamide has a molecular weight of 407.56 g/mol, XLogP of 5.09, 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-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]propanamide is sourced from PubChem (CID 16974358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).