4-(4,5-diphenyl-1H-imidazol-2-yl)-2,6-dimethoxyphenol

C23H20N2O3 — CID 1355348

IUPAC4-(4,5-diphenyl-1H-imidazol-2-yl)-2,6-dimethoxyphenol
SMILESCOc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc(OC)c1O
InChIInChI=1S/C23H20N2O3/c1-27-18-13-17(14-19(28-2)22(18)26)23-24-20(15-9-5-3-6-10-15)21(25-23)16-11-7-4-8-12-16/h3-14,26H,1-2H3,(H,24,25)
InChIKeyGWQSXPMDIQADHQ-UHFFFAOYSA-N
MW372.42 g/mol
LogP5.13
Rot. Bonds5

About 4-(4,5-diphenyl-1H-imidazol-2-yl)-2,6-dimethoxyphenol

4-(4,5-diphenyl-1H-imidazol-2-yl)-2,6-dimethoxyphenol (PubChem CID 1355348) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 4-(4,5-diphenyl-1H-imidazol-2-yl)-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-(4,5-diphenyl-1H-imidazol-2-yl)-2,6-dimethoxyphenol
PubChem CID1355348
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name4-(4,5-diphenyl-1H-imidazol-2-yl)-2,6-dimethoxyphenol
SMILESCOc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc(OC)c1O
InChIInChI=1S/C23H20N2O3/c1-27-18-13-17(14-19(28-2)22(18)26)23-24-20(15-9-5-3-6-10-15)21(25-23)16-11-7-4-8-12-16/h3-14,26H,1-2H3,(H,24,25)
InChIKeyGWQSXPMDIQADHQ-UHFFFAOYSA-N
XLogP5.13
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.42
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-diphenyl-1H-imidazol-2-yl)-2,6-dimethoxyphenol?
The IUPAC name of 4-(4,5-diphenyl-1H-imidazol-2-yl)-2,6-dimethoxyphenol (CID 1355348) is 4-(4,5-diphenyl-1H-imidazol-2-yl)-2,6-dimethoxyphenol.
What is the SMILES notation for 4-(4,5-diphenyl-1H-imidazol-2-yl)-2,6-dimethoxyphenol?
The canonical SMILES for 4-(4,5-diphenyl-1H-imidazol-2-yl)-2,6-dimethoxyphenol is COc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc(OC)c1O.
What is the InChIKey of 4-(4,5-diphenyl-1H-imidazol-2-yl)-2,6-dimethoxyphenol?
The InChIKey is GWQSXPMDIQADHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-27-18-13-17(14-19(28-2)22(18)26)23-24-20(15-9-5-3-6-10-15)21(25-23)16-11-7-4-8-12-16/h3-14,26H,1-2H3,(H,24,25).
What are the key properties of 4-(4,5-diphenyl-1H-imidazol-2-yl)-2,6-dimethoxyphenol?
4-(4,5-diphenyl-1H-imidazol-2-yl)-2,6-dimethoxyphenol has a molecular weight of 372.42 g/mol, XLogP of 5.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-diphenyl-1H-imidazol-2-yl)-2,6-dimethoxyphenol is sourced from PubChem (CID 1355348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).