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

C30H35N3O3 — CID 17009725

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

4-methoxy-N-[1-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 17009725) has the molecular formula C30H35N3O3 and a molecular weight of 485.63 g/mol. Its IUPAC name is 4-methoxy-N-[1-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 4-methoxy-N-[1-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
• PubChem CID: 17009725
• Molecular Formula: C30H35N3O3
• Molecular Weight: 485.63 g/mol
• Exact Mass: 485.27
• IUPAC Name: 4-methoxy-N-[1-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
• SMILES: COc1ccc(C(=O)NC(C)c2nc3ccccc3n2CCCCOc2ccccc2C(C)C)cc1
• InChI: InChI=1S/C30H35N3O3/c1-21(2)25-11-5-8-14-28(25)36-20-10-9-19-33-27-13-7-6-12-26(27)32-29(33)22(3)31-30(34)23-15-17-24(35-4)18-16-23/h5-8,11-18,21-22H,9-10,19-20H2,1-4H3,(H,31,34)
• InChIKey: IJDIYRKYGCZGJL-UHFFFAOYSA-N
• XLogP: 6.52
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.63
LogP ≤ 5	6.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide?

The IUPAC name of 4-methoxy-N-[1-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide (CID 17009725) is 4-methoxy-N-[1-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide.

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

The canonical SMILES for 4-methoxy-N-[1-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide is COc1ccc(C(=O)NC(C)c2nc3ccccc3n2CCCCOc2ccccc2C(C)C)cc1.

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

The InChIKey is IJDIYRKYGCZGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O3/c1-21(2)25-11-5-8-14-28(25)36-20-10-9-19-33-27-13-7-6-12-26(27)32-29(33)22(3)31-30(34)23-15-17-24(35-4)18-16-23/h5-8,11-18,21-22H,9-10,19-20H2,1-4H3,(H,31,34).

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

4-methoxy-N-[1-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 485.63 g/mol, XLogP of 6.52, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N-[1-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 17009725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).