4-[1-(4-hydroxyphenyl)imidazol-4-yl]benzene-1,2-diol

C15H12N2O3 — CID 171342836

IUPAC4-[1-(4-hydroxyphenyl)imidazol-4-yl]benzene-1,2-diol
SMILESOc1ccc(-n2cnc(-c3ccc(O)c(O)c3)c2)cc1
InChIInChI=1S/C15H12N2O3/c18-12-4-2-11(3-5-12)17-8-13(16-9-17)10-1-6-14(19)15(20)7-10/h1-9,18-20H
InChIKeyDSOXCZKHMMMEKK-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.66
Rot. Bonds2

About 4-[1-(4-hydroxyphenyl)imidazol-4-yl]benzene-1,2-diol

4-[1-(4-hydroxyphenyl)imidazol-4-yl]benzene-1,2-diol (PubChem CID 171342836) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 4-[1-(4-hydroxyphenyl)imidazol-4-yl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[1-(4-hydroxyphenyl)imidazol-4-yl]benzene-1,2-diol
PubChem CID171342836
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name4-[1-(4-hydroxyphenyl)imidazol-4-yl]benzene-1,2-diol
SMILESOc1ccc(-n2cnc(-c3ccc(O)c(O)c3)c2)cc1
InChIInChI=1S/C15H12N2O3/c18-12-4-2-11(3-5-12)17-8-13(16-9-17)10-1-6-14(19)15(20)7-10/h1-9,18-20H
InChIKeyDSOXCZKHMMMEKK-UHFFFAOYSA-N
XLogP2.66
TPSA78.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxyphenyl)imidazol-4-yl]benzene-1,2-diol?
The IUPAC name of 4-[1-(4-hydroxyphenyl)imidazol-4-yl]benzene-1,2-diol (CID 171342836) is 4-[1-(4-hydroxyphenyl)imidazol-4-yl]benzene-1,2-diol.
What is the SMILES notation for 4-[1-(4-hydroxyphenyl)imidazol-4-yl]benzene-1,2-diol?
The canonical SMILES for 4-[1-(4-hydroxyphenyl)imidazol-4-yl]benzene-1,2-diol is Oc1ccc(-n2cnc(-c3ccc(O)c(O)c3)c2)cc1.
What is the InChIKey of 4-[1-(4-hydroxyphenyl)imidazol-4-yl]benzene-1,2-diol?
The InChIKey is DSOXCZKHMMMEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c18-12-4-2-11(3-5-12)17-8-13(16-9-17)10-1-6-14(19)15(20)7-10/h1-9,18-20H.
What are the key properties of 4-[1-(4-hydroxyphenyl)imidazol-4-yl]benzene-1,2-diol?
4-[1-(4-hydroxyphenyl)imidazol-4-yl]benzene-1,2-diol has a molecular weight of 268.27 g/mol, XLogP of 2.66, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxyphenyl)imidazol-4-yl]benzene-1,2-diol is sourced from PubChem (CID 171342836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).