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

C21H16N2O2 — CID 780759

IUPAC4-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenol
SMILESOc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(O)cc3)[nH]2)cc1
InChIInChI=1S/C21H16N2O2/c24-17-10-6-15(7-11-17)20-19(14-4-2-1-3-5-14)22-21(23-20)16-8-12-18(25)13-9-16/h1-13,24-25H,(H,22,23)
InChIKeyDNTFESJRYSPRGH-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.82
Rot. Bonds3

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

4-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenol (PubChem CID 780759) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenol.

Molecular Properties

Compound Name4-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenol
PubChem CID780759
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name4-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenol
SMILESOc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(O)cc3)[nH]2)cc1
InChIInChI=1S/C21H16N2O2/c24-17-10-6-15(7-11-17)20-19(14-4-2-1-3-5-14)22-21(23-20)16-8-12-18(25)13-9-16/h1-13,24-25H,(H,22,23)
InChIKeyDNTFESJRYSPRGH-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-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenol?
The IUPAC name of 4-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenol (CID 780759) is 4-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenol.
What is the SMILES notation for 4-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenol?
The canonical SMILES for 4-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenol is Oc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(O)cc3)[nH]2)cc1.
What is the InChIKey of 4-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenol?
The InChIKey is DNTFESJRYSPRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c24-17-10-6-15(7-11-17)20-19(14-4-2-1-3-5-14)22-21(23-20)16-8-12-18(25)13-9-16/h1-13,24-25H,(H,22,23).
What are the key properties of 4-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenol?
4-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-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 4-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenol is sourced from PubChem (CID 780759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).