3-[5-hydroperoxy-5-(3-hydroxyphenyl)-2-phenylimidazol-4-yl]phenol

C21H16N2O4 — CID 11530579

IUPAC3-[5-hydroperoxy-5-(3-hydroxyphenyl)-2-phenylimidazol-4-yl]phenol
SMILESOOC1(c2cccc(O)c2)N=C(c2ccccc2)N=C1c1cccc(O)c1
InChIInChI=1S/C21H16N2O4/c24-17-10-4-8-15(12-17)19-21(27-26,16-9-5-11-18(25)13-16)23-20(22-19)14-6-2-1-3-7-14/h1-13,24-26H
InChIKeyOVSJHZLYWFNNRK-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.69
Rot. Bonds4

About 3-[5-hydroperoxy-5-(3-hydroxyphenyl)-2-phenylimidazol-4-yl]phenol

3-[5-hydroperoxy-5-(3-hydroxyphenyl)-2-phenylimidazol-4-yl]phenol (PubChem CID 11530579) has the molecular formula C21H16N2O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is 3-[5-hydroperoxy-5-(3-hydroxyphenyl)-2-phenylimidazol-4-yl]phenol.

Molecular Properties

Compound Name3-[5-hydroperoxy-5-(3-hydroxyphenyl)-2-phenylimidazol-4-yl]phenol
PubChem CID11530579
Molecular FormulaC21H16N2O4
Molecular Weight360.37 g/mol
Exact Mass360.11
IUPAC Name3-[5-hydroperoxy-5-(3-hydroxyphenyl)-2-phenylimidazol-4-yl]phenol
SMILESOOC1(c2cccc(O)c2)N=C(c2ccccc2)N=C1c1cccc(O)c1
InChIInChI=1S/C21H16N2O4/c24-17-10-4-8-15(12-17)19-21(27-26,16-9-5-11-18(25)13-16)23-20(22-19)14-6-2-1-3-7-14/h1-13,24-26H
InChIKeyOVSJHZLYWFNNRK-UHFFFAOYSA-N
XLogP3.69
TPSA94.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[5-hydroperoxy-5-(3-hydroxyphenyl)-2-phenylimidazol-4-yl]phenol?
The IUPAC name of 3-[5-hydroperoxy-5-(3-hydroxyphenyl)-2-phenylimidazol-4-yl]phenol (CID 11530579) is 3-[5-hydroperoxy-5-(3-hydroxyphenyl)-2-phenylimidazol-4-yl]phenol.
What is the SMILES notation for 3-[5-hydroperoxy-5-(3-hydroxyphenyl)-2-phenylimidazol-4-yl]phenol?
The canonical SMILES for 3-[5-hydroperoxy-5-(3-hydroxyphenyl)-2-phenylimidazol-4-yl]phenol is OOC1(c2cccc(O)c2)N=C(c2ccccc2)N=C1c1cccc(O)c1.
What is the InChIKey of 3-[5-hydroperoxy-5-(3-hydroxyphenyl)-2-phenylimidazol-4-yl]phenol?
The InChIKey is OVSJHZLYWFNNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4/c24-17-10-4-8-15(12-17)19-21(27-26,16-9-5-11-18(25)13-16)23-20(22-19)14-6-2-1-3-7-14/h1-13,24-26H.
What are the key properties of 3-[5-hydroperoxy-5-(3-hydroxyphenyl)-2-phenylimidazol-4-yl]phenol?
3-[5-hydroperoxy-5-(3-hydroxyphenyl)-2-phenylimidazol-4-yl]phenol has a molecular weight of 360.37 g/mol, XLogP of 3.69, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-hydroperoxy-5-(3-hydroxyphenyl)-2-phenylimidazol-4-yl]phenol is sourced from PubChem (CID 11530579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).