2-[4-[8-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]octoxy]phenyl]-4,5-dihydro-1H-imidazole

C26H34N4O2 — CID 71211571

IUPAC2-[4-[8-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]octoxy]phenyl]-4,5-dihydro-1H-imidazole
SMILESc1cc(C2=NCCN2)ccc1OCCCCCCCCOc1ccc(C2=NCCN2)cc1
InChIInChI=1S/C26H34N4O2/c1(3-5-19-31-23-11-7-21(8-12-23)25-27-15-16-28-25)2-4-6-20-32-24-13-9-22(10-14-24)26-29-17-18-30-26/h7-14H,1-6,15-20H2,(H,27,28)(H,29,30)
InChIKeyFLNOPLRAXXWXMR-UHFFFAOYSA-N
MW434.58 g/mol
LogP4.18
Rot. Bonds13

About 2-[4-[8-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]octoxy]phenyl]-4,5-dihydro-1H-imidazole

2-[4-[8-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]octoxy]phenyl]-4,5-dihydro-1H-imidazole (PubChem CID 71211571) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 2-[4-[8-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]octoxy]phenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[4-[8-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]octoxy]phenyl]-4,5-dihydro-1H-imidazole
PubChem CID71211571
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC Name2-[4-[8-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]octoxy]phenyl]-4,5-dihydro-1H-imidazole
SMILESc1cc(C2=NCCN2)ccc1OCCCCCCCCOc1ccc(C2=NCCN2)cc1
InChIInChI=1S/C26H34N4O2/c1(3-5-19-31-23-11-7-21(8-12-23)25-27-15-16-28-25)2-4-6-20-32-24-13-9-22(10-14-24)26-29-17-18-30-26/h7-14H,1-6,15-20H2,(H,27,28)(H,29,30)
InChIKeyFLNOPLRAXXWXMR-UHFFFAOYSA-N
XLogP4.18
TPSA67.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[4-[8-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]octoxy]phenyl]-4,5-dihydro-1H-imidazole 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 2-[4-[8-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]octoxy]phenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[4-[8-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]octoxy]phenyl]-4,5-dihydro-1H-imidazole (CID 71211571) is 2-[4-[8-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]octoxy]phenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[4-[8-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]octoxy]phenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[4-[8-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]octoxy]phenyl]-4,5-dihydro-1H-imidazole is c1cc(C2=NCCN2)ccc1OCCCCCCCCOc1ccc(C2=NCCN2)cc1.
What is the InChIKey of 2-[4-[8-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]octoxy]phenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is FLNOPLRAXXWXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1(3-5-19-31-23-11-7-21(8-12-23)25-27-15-16-28-25)2-4-6-20-32-24-13-9-22(10-14-24)26-29-17-18-30-26/h7-14H,1-6,15-20H2,(H,27,28)(H,29,30).
What are the key properties of 2-[4-[8-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]octoxy]phenyl]-4,5-dihydro-1H-imidazole?
2-[4-[8-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]octoxy]phenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 434.58 g/mol, XLogP of 4.18, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[8-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]octoxy]phenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 71211571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).