1,3-Di(4-imidazolinophenoxyl)propane

C21H24N4O2 — CID 122669

IUPAC2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propoxy]phenyl]-4,5-dihydro-1H-imidazole
SMILESC1CN=C(N1)C2=CC=C(C=C2)OCCCOC3=CC=C(C=C3)C4=NCCN4
InChIInChI=1S/C21H24N4O2/c1(14-26-18-6-2-16(3-7-18)20-22-10-11-23-20)15-27-19-8-4-17(5-9-19)21-24-12-13-25-21/h2-9H,1,10-15H2,(H,22,23)(H,24,25)
InChIKeyPSXUKPCAIKETHF-UHFFFAOYSA-N
MW364.40 g/mol
LogP1.80
Rot. Bonds8

About 1,3-Di(4-imidazolinophenoxyl)propane

1,3-Di(4-imidazolinophenoxyl)propane (PubChem CID 122669) has the molecular formula C21H24N4O2 and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propoxy]phenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name1,3-Di(4-imidazolinophenoxyl)propane
PubChem CID122669
Molecular FormulaC21H24N4O2
Molecular Weight364.40 g/mol
Exact Mass364.19
IUPAC Name2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propoxy]phenyl]-4,5-dihydro-1H-imidazole
SMILESC1CN=C(N1)C2=CC=C(C=C2)OCCCOC3=CC=C(C=C3)C4=NCCN4
InChIInChI=1S/C21H24N4O2/c1(14-26-18-6-2-16(3-7-18)20-22-10-11-23-20)15-27-19-8-4-17(5-9-19)21-24-12-13-25-21/h2-9H,1,10-15H2,(H,22,23)(H,24,25)
InChIKeyPSXUKPCAIKETHF-UHFFFAOYSA-N
XLogP1.80
TPSA67.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity474

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,3-Di(4-imidazolinophenoxyl)propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-Di(4-imidazolinophenoxyl)propane?
The IUPAC name of 1,3-Di(4-imidazolinophenoxyl)propane (CID 122669) is 2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propoxy]phenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 1,3-Di(4-imidazolinophenoxyl)propane?
The canonical SMILES for 1,3-Di(4-imidazolinophenoxyl)propane is C1CN=C(N1)C2=CC=C(C=C2)OCCCOC3=CC=C(C=C3)C4=NCCN4.
What is the InChIKey of 1,3-Di(4-imidazolinophenoxyl)propane?
The InChIKey is PSXUKPCAIKETHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1(14-26-18-6-2-16(3-7-18)20-22-10-11-23-20)15-27-19-8-4-17(5-9-19)21-24-12-13-25-21/h2-9H,1,10-15H2,(H,22,23)(H,24,25).
What are the key properties of 1,3-Di(4-imidazolinophenoxyl)propane?
1,3-Di(4-imidazolinophenoxyl)propane has a molecular weight of 364.40 g/mol, XLogP of 1.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-Di(4-imidazolinophenoxyl)propane is sourced from PubChem (CID 122669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).