N-[3-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide

C30H35N3O2 — CID 16982304

About N-[3-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide

N-[3-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide (PubChem CID 16982304) has the molecular formula C30H35N3O2 and a molecular weight of 469.63 g/mol. Its IUPAC name is N-[3-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide.

Molecular Properties

• Compound Name: N-[3-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
• PubChem CID: 16982304
• Molecular Formula: C30H35N3O2
• Molecular Weight: 469.63 g/mol
• Exact Mass: 469.27
• IUPAC Name: N-[3-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
• SMILES: CC(C)c1ccc(OCCCCn2c(CCCNC(=O)c3ccccc3)nc3ccccc32)cc1
• InChI: InChI=1S/C30H35N3O2/c1-23(2)24-16-18-26(19-17-24)35-22-9-8-21-33-28-14-7-6-13-27(28)32-29(33)15-10-20-31-30(34)25-11-4-3-5-12-25/h3-7,11-14,16-19,23H,8-10,15,20-22H2,1-2H3,(H,31,34)
• InChIKey: VAXKIGFUNJMWBC-UHFFFAOYSA-N
• XLogP: 6.38
• 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	6.38
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-[3-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide?

The IUPAC name of N-[3-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide (CID 16982304) is N-[3-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide.

What is the SMILES notation for N-[3-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide?

The canonical SMILES for N-[3-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide is CC(C)c1ccc(OCCCCn2c(CCCNC(=O)c3ccccc3)nc3ccccc32)cc1.

What is the InChIKey of N-[3-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide?

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

What are the key properties of N-[3-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide?

N-[3-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide has a molecular weight of 469.63 g/mol, XLogP of 6.38, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide is sourced from PubChem (CID 16982304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).