4-(4,5-diphenyl-1H-imidazol-2-yl)benzene-1,3-diol

C21H16N2O2 — CID 2538211

IUPAC4-(4,5-diphenyl-1H-imidazol-2-yl)benzene-1,3-diol
SMILESOc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c(O)c1
InChIInChI=1S/C21H16N2O2/c24-16-11-12-17(18(25)13-16)21-22-19(14-7-3-1-4-8-14)20(23-21)15-9-5-2-6-10-15/h1-13,24-25H,(H,22,23)
InChIKeyYKZFBYGKWSTWIZ-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.82
Rot. Bonds3

About 4-(4,5-diphenyl-1H-imidazol-2-yl)benzene-1,3-diol

4-(4,5-diphenyl-1H-imidazol-2-yl)benzene-1,3-diol (PubChem CID 2538211) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-(4,5-diphenyl-1H-imidazol-2-yl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(4,5-diphenyl-1H-imidazol-2-yl)benzene-1,3-diol
PubChem CID2538211
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name4-(4,5-diphenyl-1H-imidazol-2-yl)benzene-1,3-diol
SMILESOc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c(O)c1
InChIInChI=1S/C21H16N2O2/c24-16-11-12-17(18(25)13-16)21-22-19(14-7-3-1-4-8-14)20(23-21)15-9-5-2-6-10-15/h1-13,24-25H,(H,22,23)
InChIKeyYKZFBYGKWSTWIZ-UHFFFAOYSA-N
XLogP4.82
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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)benzene-1,3-diol?
The IUPAC name of 4-(4,5-diphenyl-1H-imidazol-2-yl)benzene-1,3-diol (CID 2538211) is 4-(4,5-diphenyl-1H-imidazol-2-yl)benzene-1,3-diol.
What is the SMILES notation for 4-(4,5-diphenyl-1H-imidazol-2-yl)benzene-1,3-diol?
The canonical SMILES for 4-(4,5-diphenyl-1H-imidazol-2-yl)benzene-1,3-diol is Oc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c(O)c1.
What is the InChIKey of 4-(4,5-diphenyl-1H-imidazol-2-yl)benzene-1,3-diol?
The InChIKey is YKZFBYGKWSTWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c24-16-11-12-17(18(25)13-16)21-22-19(14-7-3-1-4-8-14)20(23-21)15-9-5-2-6-10-15/h1-13,24-25H,(H,22,23).
What are the key properties of 4-(4,5-diphenyl-1H-imidazol-2-yl)benzene-1,3-diol?
4-(4,5-diphenyl-1H-imidazol-2-yl)benzene-1,3-diol has a molecular weight of 328.37 g/mol, XLogP of 4.82, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-diphenyl-1H-imidazol-2-yl)benzene-1,3-diol is sourced from PubChem (CID 2538211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).