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

C30H35N3O2 — CID 16979029

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

2-phenyl-N-[2-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide (PubChem CID 16979029) has the molecular formula C30H35N3O2 and a molecular weight of 469.63 g/mol. Its IUPAC name is 2-phenyl-N-[2-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-phenyl-N-[2-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
• PubChem CID: 16979029
• Molecular Formula: C30H35N3O2
• Molecular Weight: 469.63 g/mol
• Exact Mass: 469.27
• IUPAC Name: 2-phenyl-N-[2-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
• SMILES: CC(C)c1ccc(OCCCCn2c(CCNC(=O)Cc3ccccc3)nc3ccccc32)cc1
• InChI: InChI=1S/C30H35N3O2/c1-23(2)25-14-16-26(17-15-25)35-21-9-8-20-33-28-13-7-6-12-27(28)32-29(33)18-19-31-30(34)22-24-10-4-3-5-11-24/h3-7,10-17,23H,8-9,18-22H2,1-2H3,(H,31,34)
• InChIKey: SHJSLJMMASPYFH-UHFFFAOYSA-N
• XLogP: 5.92
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.63
LogP ≤ 5	5.92
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-phenyl-N-[2-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide?

The IUPAC name of 2-phenyl-N-[2-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide (CID 16979029) is 2-phenyl-N-[2-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide.

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

The canonical SMILES for 2-phenyl-N-[2-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide is CC(C)c1ccc(OCCCCn2c(CCNC(=O)Cc3ccccc3)nc3ccccc32)cc1.

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

The InChIKey is SHJSLJMMASPYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O2/c1-23(2)25-14-16-26(17-15-25)35-21-9-8-20-33-28-13-7-6-12-27(28)32-29(33)18-19-31-30(34)22-24-10-4-3-5-11-24/h3-7,10-17,23H,8-9,18-22H2,1-2H3,(H,31,34).

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

2-phenyl-N-[2-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 469.63 g/mol, XLogP of 5.92, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-N-[2-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 16979029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).