3-[4-(2-butyl-4-dibenzofuran-2-ylimidazol-1-yl)phenoxy]-N,N-diethylpropan-1-amine

C32H37N3O2 — CID 59699425

About 3-[4-(2-butyl-4-dibenzofuran-2-ylimidazol-1-yl)phenoxy]-N,N-diethylpropan-1-amine

3-[4-(2-butyl-4-dibenzofuran-2-ylimidazol-1-yl)phenoxy]-N,N-diethylpropan-1-amine (PubChem CID 59699425) has the molecular formula C32H37N3O2 and a molecular weight of 495.67 g/mol. Its IUPAC name is 3-[4-(2-butyl-4-dibenzofuran-2-ylimidazol-1-yl)phenoxy]-N,N-diethylpropan-1-amine.

Molecular Properties

• Compound Name: 3-[4-(2-butyl-4-dibenzofuran-2-ylimidazol-1-yl)phenoxy]-N,N-diethylpropan-1-amine
• PubChem CID: 59699425
• Molecular Formula: C32H37N3O2
• Molecular Weight: 495.67 g/mol
• Exact Mass: 495.29
• IUPAC Name: 3-[4-(2-butyl-4-dibenzofuran-2-ylimidazol-1-yl)phenoxy]-N,N-diethylpropan-1-amine
• SMILES: CCCCc1nc(-c2ccc3oc4ccccc4c3c2)cn1-c1ccc(OCCCN(CC)CC)cc1
• InChI: InChI=1S/C32H37N3O2/c1-4-7-13-32-33-29(24-14-19-31-28(22-24)27-11-8-9-12-30(27)37-31)23-35(32)25-15-17-26(18-16-25)36-21-10-20-34(5-2)6-3/h8-9,11-12,14-19,22-23H,4-7,10,13,20-21H2,1-3H3
• InChIKey: BQBLQUTTZAROSD-UHFFFAOYSA-N
• XLogP: 7.89
• TPSA: 43.43 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.67
LogP ≤ 5	7.89
H-Bond Donors ≤ 5	0
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 3-[4-(2-butyl-4-dibenzofuran-2-ylimidazol-1-yl)phenoxy]-N,N-diethylpropan-1-amine?

The IUPAC name of 3-[4-(2-butyl-4-dibenzofuran-2-ylimidazol-1-yl)phenoxy]-N,N-diethylpropan-1-amine (CID 59699425) is 3-[4-(2-butyl-4-dibenzofuran-2-ylimidazol-1-yl)phenoxy]-N,N-diethylpropan-1-amine.

What is the SMILES notation for 3-[4-(2-butyl-4-dibenzofuran-2-ylimidazol-1-yl)phenoxy]-N,N-diethylpropan-1-amine?

The canonical SMILES for 3-[4-(2-butyl-4-dibenzofuran-2-ylimidazol-1-yl)phenoxy]-N,N-diethylpropan-1-amine is CCCCc1nc(-c2ccc3oc4ccccc4c3c2)cn1-c1ccc(OCCCN(CC)CC)cc1.

What is the InChIKey of 3-[4-(2-butyl-4-dibenzofuran-2-ylimidazol-1-yl)phenoxy]-N,N-diethylpropan-1-amine?

The InChIKey is BQBLQUTTZAROSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O2/c1-4-7-13-32-33-29(24-14-19-31-28(22-24)27-11-8-9-12-30(27)37-31)23-35(32)25-15-17-26(18-16-25)36-21-10-20-34(5-2)6-3/h8-9,11-12,14-19,22-23H,4-7,10,13,20-21H2,1-3H3.

What are the key properties of 3-[4-(2-butyl-4-dibenzofuran-2-ylimidazol-1-yl)phenoxy]-N,N-diethylpropan-1-amine?

3-[4-(2-butyl-4-dibenzofuran-2-ylimidazol-1-yl)phenoxy]-N,N-diethylpropan-1-amine has a molecular weight of 495.67 g/mol, XLogP of 7.89, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(2-butyl-4-dibenzofuran-2-ylimidazol-1-yl)phenoxy]-N,N-diethylpropan-1-amine is sourced from PubChem (CID 59699425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).