2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-(1H-imidazol-5-yl)methyl]-4-phenylphenol

C28H22N2O3 — CID 145235295

IUPAC2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-(1H-imidazol-5-yl)methyl]-4-phenylphenol
SMILESOc1ccc(-c2ccc(O)c(C(c3cnc[nH]3)c3cc(-c4ccccc4)ccc3O)c2)cc1
InChIInChI=1S/C28H22N2O3/c31-22-10-6-19(7-11-22)21-9-13-27(33)24(15-21)28(25-16-29-17-30-25)23-14-20(8-12-26(23)32)18-4-2-1-3-5-18/h1-17,28,31-33H,(H,29,30)
InChIKeyAKFXXFYFSWKUMX-UHFFFAOYSA-N
MW434.50 g/mol
LogP6.04
Rot. Bonds5

About 2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-(1H-imidazol-5-yl)methyl]-4-phenylphenol

2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-(1H-imidazol-5-yl)methyl]-4-phenylphenol (PubChem CID 145235295) has the molecular formula C28H22N2O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is 2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-(1H-imidazol-5-yl)methyl]-4-phenylphenol.

Molecular Properties

Compound Name2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-(1H-imidazol-5-yl)methyl]-4-phenylphenol
PubChem CID145235295
Molecular FormulaC28H22N2O3
Molecular Weight434.50 g/mol
Exact Mass434.16
IUPAC Name2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-(1H-imidazol-5-yl)methyl]-4-phenylphenol
SMILESOc1ccc(-c2ccc(O)c(C(c3cnc[nH]3)c3cc(-c4ccccc4)ccc3O)c2)cc1
InChIInChI=1S/C28H22N2O3/c31-22-10-6-19(7-11-22)21-9-13-27(33)24(15-21)28(25-16-29-17-30-25)23-14-20(8-12-26(23)32)18-4-2-1-3-5-18/h1-17,28,31-33H,(H,29,30)
InChIKeyAKFXXFYFSWKUMX-UHFFFAOYSA-N
XLogP6.04
TPSA89.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.50
LogP ≤ 56.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-(1H-imidazol-5-yl)methyl]-4-phenylphenol?
The IUPAC name of 2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-(1H-imidazol-5-yl)methyl]-4-phenylphenol (CID 145235295) is 2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-(1H-imidazol-5-yl)methyl]-4-phenylphenol.
What is the SMILES notation for 2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-(1H-imidazol-5-yl)methyl]-4-phenylphenol?
The canonical SMILES for 2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-(1H-imidazol-5-yl)methyl]-4-phenylphenol is Oc1ccc(-c2ccc(O)c(C(c3cnc[nH]3)c3cc(-c4ccccc4)ccc3O)c2)cc1.
What is the InChIKey of 2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-(1H-imidazol-5-yl)methyl]-4-phenylphenol?
The InChIKey is AKFXXFYFSWKUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O3/c31-22-10-6-19(7-11-22)21-9-13-27(33)24(15-21)28(25-16-29-17-30-25)23-14-20(8-12-26(23)32)18-4-2-1-3-5-18/h1-17,28,31-33H,(H,29,30).
What are the key properties of 2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-(1H-imidazol-5-yl)methyl]-4-phenylphenol?
2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-(1H-imidazol-5-yl)methyl]-4-phenylphenol has a molecular weight of 434.50 g/mol, XLogP of 6.04, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-(1H-imidazol-5-yl)methyl]-4-phenylphenol is sourced from PubChem (CID 145235295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).