4-[2-[4-hydroxy-3-(imidazol-1-ylmethyl)phenyl]ethenyl]-2-(imidazol-1-ylmethyl)phenol

C22H20N4O2 — CID 67433377

IUPAC4-[2-[4-hydroxy-3-(imidazol-1-ylmethyl)phenyl]ethenyl]-2-(imidazol-1-ylmethyl)phenol
SMILESOc1ccc(C=Cc2ccc(O)c(Cn3ccnc3)c2)cc1Cn1ccnc1
InChIInChI=1S/C22H20N4O2/c27-21-5-3-17(11-19(21)13-25-9-7-23-15-25)1-2-18-4-6-22(28)20(12-18)14-26-10-8-24-16-26/h1-12,15-16,27-28H,13-14H2
InChIKeyHQPKSPYPZFNACR-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.76
Rot. Bonds6

About 4-[2-[4-hydroxy-3-(imidazol-1-ylmethyl)phenyl]ethenyl]-2-(imidazol-1-ylmethyl)phenol

4-[2-[4-hydroxy-3-(imidazol-1-ylmethyl)phenyl]ethenyl]-2-(imidazol-1-ylmethyl)phenol (PubChem CID 67433377) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 4-[2-[4-hydroxy-3-(imidazol-1-ylmethyl)phenyl]ethenyl]-2-(imidazol-1-ylmethyl)phenol.

Molecular Properties

Compound Name4-[2-[4-hydroxy-3-(imidazol-1-ylmethyl)phenyl]ethenyl]-2-(imidazol-1-ylmethyl)phenol
PubChem CID67433377
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name4-[2-[4-hydroxy-3-(imidazol-1-ylmethyl)phenyl]ethenyl]-2-(imidazol-1-ylmethyl)phenol
SMILESOc1ccc(C=Cc2ccc(O)c(Cn3ccnc3)c2)cc1Cn1ccnc1
InChIInChI=1S/C22H20N4O2/c27-21-5-3-17(11-19(21)13-25-9-7-23-15-25)1-2-18-4-6-22(28)20(12-18)14-26-10-8-24-16-26/h1-12,15-16,27-28H,13-14H2
InChIKeyHQPKSPYPZFNACR-UHFFFAOYSA-N
XLogP3.76
TPSA76.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 4-[2-[4-hydroxy-3-(imidazol-1-ylmethyl)phenyl]ethenyl]-2-(imidazol-1-ylmethyl)phenol 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 4-[2-[4-hydroxy-3-(imidazol-1-ylmethyl)phenyl]ethenyl]-2-(imidazol-1-ylmethyl)phenol?
The IUPAC name of 4-[2-[4-hydroxy-3-(imidazol-1-ylmethyl)phenyl]ethenyl]-2-(imidazol-1-ylmethyl)phenol (CID 67433377) is 4-[2-[4-hydroxy-3-(imidazol-1-ylmethyl)phenyl]ethenyl]-2-(imidazol-1-ylmethyl)phenol.
What is the SMILES notation for 4-[2-[4-hydroxy-3-(imidazol-1-ylmethyl)phenyl]ethenyl]-2-(imidazol-1-ylmethyl)phenol?
The canonical SMILES for 4-[2-[4-hydroxy-3-(imidazol-1-ylmethyl)phenyl]ethenyl]-2-(imidazol-1-ylmethyl)phenol is Oc1ccc(C=Cc2ccc(O)c(Cn3ccnc3)c2)cc1Cn1ccnc1.
What is the InChIKey of 4-[2-[4-hydroxy-3-(imidazol-1-ylmethyl)phenyl]ethenyl]-2-(imidazol-1-ylmethyl)phenol?
The InChIKey is HQPKSPYPZFNACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c27-21-5-3-17(11-19(21)13-25-9-7-23-15-25)1-2-18-4-6-22(28)20(12-18)14-26-10-8-24-16-26/h1-12,15-16,27-28H,13-14H2.
What are the key properties of 4-[2-[4-hydroxy-3-(imidazol-1-ylmethyl)phenyl]ethenyl]-2-(imidazol-1-ylmethyl)phenol?
4-[2-[4-hydroxy-3-(imidazol-1-ylmethyl)phenyl]ethenyl]-2-(imidazol-1-ylmethyl)phenol has a molecular weight of 372.43 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-hydroxy-3-(imidazol-1-ylmethyl)phenyl]ethenyl]-2-(imidazol-1-ylmethyl)phenol is sourced from PubChem (CID 67433377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).