2-[5-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-2-yl]phenol

C21H16N2O2 — CID 887020

IUPAC2-[5-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-2-yl]phenol
SMILESOc1ccc(-c2[nH]c(-c3ccccc3O)nc2-c2ccccc2)cc1
InChIInChI=1S/C21H16N2O2/c24-16-12-10-15(11-13-16)20-19(14-6-2-1-3-7-14)22-21(23-20)17-8-4-5-9-18(17)25/h1-13,24-25H,(H,22,23)
InChIKeyPHLLUEBIABZXRY-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.82
Rot. Bonds3

About 2-[5-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-2-yl]phenol

2-[5-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-2-yl]phenol (PubChem CID 887020) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[5-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-2-yl]phenol.

Molecular Properties

Compound Name2-[5-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-2-yl]phenol
PubChem CID887020
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name2-[5-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-2-yl]phenol
SMILESOc1ccc(-c2[nH]c(-c3ccccc3O)nc2-c2ccccc2)cc1
InChIInChI=1S/C21H16N2O2/c24-16-12-10-15(11-13-16)20-19(14-6-2-1-3-7-14)22-21(23-20)17-8-4-5-9-18(17)25/h1-13,24-25H,(H,22,23)
InChIKeyPHLLUEBIABZXRY-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 2-[5-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-2-yl]phenol?
The IUPAC name of 2-[5-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-2-yl]phenol (CID 887020) is 2-[5-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-2-yl]phenol.
What is the SMILES notation for 2-[5-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-2-yl]phenol?
The canonical SMILES for 2-[5-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-2-yl]phenol is Oc1ccc(-c2[nH]c(-c3ccccc3O)nc2-c2ccccc2)cc1.
What is the InChIKey of 2-[5-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-2-yl]phenol?
The InChIKey is PHLLUEBIABZXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c24-16-12-10-15(11-13-16)20-19(14-6-2-1-3-7-14)22-21(23-20)17-8-4-5-9-18(17)25/h1-13,24-25H,(H,22,23).
What are the key properties of 2-[5-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-2-yl]phenol?
2-[5-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-2-yl]phenol 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 2-[5-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-2-yl]phenol is sourced from PubChem (CID 887020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).