4-[1,2-bis(4-hydroxyphenyl)imidazol-4-yl]phenol

C21H16N2O3 — CID 135461018

IUPAC4-[1,2-bis(4-hydroxyphenyl)imidazol-4-yl]phenol
SMILESOc1ccc(-c2cn(-c3ccc(O)cc3)c(-c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C21H16N2O3/c24-17-7-1-14(2-8-17)20-13-23(16-5-11-19(26)12-6-16)21(22-20)15-3-9-18(25)10-4-15/h1-13,24-26H
InChIKeyQMBKCXICBFNDDL-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.32
Rot. Bonds3

About 4-[1,2-bis(4-hydroxyphenyl)imidazol-4-yl]phenol

4-[1,2-bis(4-hydroxyphenyl)imidazol-4-yl]phenol (PubChem CID 135461018) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is 4-[1,2-bis(4-hydroxyphenyl)imidazol-4-yl]phenol.

Molecular Properties

Compound Name4-[1,2-bis(4-hydroxyphenyl)imidazol-4-yl]phenol
PubChem CID135461018
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC Name4-[1,2-bis(4-hydroxyphenyl)imidazol-4-yl]phenol
SMILESOc1ccc(-c2cn(-c3ccc(O)cc3)c(-c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C21H16N2O3/c24-17-7-1-14(2-8-17)20-13-23(16-5-11-19(26)12-6-16)21(22-20)15-3-9-18(25)10-4-15/h1-13,24-26H
InChIKeyQMBKCXICBFNDDL-UHFFFAOYSA-N
XLogP4.32
TPSA78.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1,2-bis(4-hydroxyphenyl)imidazol-4-yl]phenol?
The IUPAC name of 4-[1,2-bis(4-hydroxyphenyl)imidazol-4-yl]phenol (CID 135461018) is 4-[1,2-bis(4-hydroxyphenyl)imidazol-4-yl]phenol.
What is the SMILES notation for 4-[1,2-bis(4-hydroxyphenyl)imidazol-4-yl]phenol?
The canonical SMILES for 4-[1,2-bis(4-hydroxyphenyl)imidazol-4-yl]phenol is Oc1ccc(-c2cn(-c3ccc(O)cc3)c(-c3ccc(O)cc3)n2)cc1.
What is the InChIKey of 4-[1,2-bis(4-hydroxyphenyl)imidazol-4-yl]phenol?
The InChIKey is QMBKCXICBFNDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3/c24-17-7-1-14(2-8-17)20-13-23(16-5-11-19(26)12-6-16)21(22-20)15-3-9-18(25)10-4-15/h1-13,24-26H.
What are the key properties of 4-[1,2-bis(4-hydroxyphenyl)imidazol-4-yl]phenol?
4-[1,2-bis(4-hydroxyphenyl)imidazol-4-yl]phenol has a molecular weight of 344.37 g/mol, XLogP of 4.32, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,2-bis(4-hydroxyphenyl)imidazol-4-yl]phenol is sourced from PubChem (CID 135461018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).