4-hydroperoxy-2,4,5-triphenylimidazole

C21H16N2O2 — CID 11587931

IUPAC4-hydroperoxy-2,4,5-triphenylimidazole
SMILESOOC1(c2ccccc2)N=C(c2ccccc2)N=C1c1ccccc1
InChIInChI=1S/C21H16N2O2/c24-25-21(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)22-20(23-21)17-12-6-2-7-13-17/h1-15,24H
InChIKeyOMYGAPPRUMNOIK-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.28
Rot. Bonds4

About 4-hydroperoxy-2,4,5-triphenylimidazole

4-hydroperoxy-2,4,5-triphenylimidazole (PubChem CID 11587931) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-hydroperoxy-2,4,5-triphenylimidazole.

Molecular Properties

Compound Name4-hydroperoxy-2,4,5-triphenylimidazole
PubChem CID11587931
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name4-hydroperoxy-2,4,5-triphenylimidazole
SMILESOOC1(c2ccccc2)N=C(c2ccccc2)N=C1c1ccccc1
InChIInChI=1S/C21H16N2O2/c24-25-21(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)22-20(23-21)17-12-6-2-7-13-17/h1-15,24H
InChIKeyOMYGAPPRUMNOIK-UHFFFAOYSA-N
XLogP4.28
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-hydroperoxy-2,4,5-triphenylimidazole?
The IUPAC name of 4-hydroperoxy-2,4,5-triphenylimidazole (CID 11587931) is 4-hydroperoxy-2,4,5-triphenylimidazole.
What is the SMILES notation for 4-hydroperoxy-2,4,5-triphenylimidazole?
The canonical SMILES for 4-hydroperoxy-2,4,5-triphenylimidazole is OOC1(c2ccccc2)N=C(c2ccccc2)N=C1c1ccccc1.
What is the InChIKey of 4-hydroperoxy-2,4,5-triphenylimidazole?
The InChIKey is OMYGAPPRUMNOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c24-25-21(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)22-20(23-21)17-12-6-2-7-13-17/h1-15,24H.
What are the key properties of 4-hydroperoxy-2,4,5-triphenylimidazole?
4-hydroperoxy-2,4,5-triphenylimidazole has a molecular weight of 328.37 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroperoxy-2,4,5-triphenylimidazole is sourced from PubChem (CID 11587931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).