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

C23H20N2O2 — CID 135484574

IUPAC4-[3-ethyl-2-(4-hydroxyphenyl)-5-phenylimidazol-4-yl]phenol
SMILESCCn1c(-c2ccc(O)cc2)nc(-c2ccccc2)c1-c1ccc(O)cc1
InChIInChI=1S/C23H20N2O2/c1-2-25-22(17-8-12-19(26)13-9-17)21(16-6-4-3-5-7-16)24-23(25)18-10-14-20(27)15-11-18/h3-15,26-27H,2H2,1H3
InChIKeyPXDYVRRQUSBXCI-UHFFFAOYSA-N
MW356.43 g/mol
LogP5.32
Rot. Bonds4

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

4-[3-ethyl-2-(4-hydroxyphenyl)-5-phenylimidazol-4-yl]phenol (PubChem CID 135484574) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-[3-ethyl-2-(4-hydroxyphenyl)-5-phenylimidazol-4-yl]phenol.

Molecular Properties

Compound Name4-[3-ethyl-2-(4-hydroxyphenyl)-5-phenylimidazol-4-yl]phenol
PubChem CID135484574
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name4-[3-ethyl-2-(4-hydroxyphenyl)-5-phenylimidazol-4-yl]phenol
SMILESCCn1c(-c2ccc(O)cc2)nc(-c2ccccc2)c1-c1ccc(O)cc1
InChIInChI=1S/C23H20N2O2/c1-2-25-22(17-8-12-19(26)13-9-17)21(16-6-4-3-5-7-16)24-23(25)18-10-14-20(27)15-11-18/h3-15,26-27H,2H2,1H3
InChIKeyPXDYVRRQUSBXCI-UHFFFAOYSA-N
XLogP5.32
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-ethyl-2-(4-hydroxyphenyl)-5-phenylimidazol-4-yl]phenol?
The IUPAC name of 4-[3-ethyl-2-(4-hydroxyphenyl)-5-phenylimidazol-4-yl]phenol (CID 135484574) is 4-[3-ethyl-2-(4-hydroxyphenyl)-5-phenylimidazol-4-yl]phenol.
What is the SMILES notation for 4-[3-ethyl-2-(4-hydroxyphenyl)-5-phenylimidazol-4-yl]phenol?
The canonical SMILES for 4-[3-ethyl-2-(4-hydroxyphenyl)-5-phenylimidazol-4-yl]phenol is CCn1c(-c2ccc(O)cc2)nc(-c2ccccc2)c1-c1ccc(O)cc1.
What is the InChIKey of 4-[3-ethyl-2-(4-hydroxyphenyl)-5-phenylimidazol-4-yl]phenol?
The InChIKey is PXDYVRRQUSBXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-2-25-22(17-8-12-19(26)13-9-17)21(16-6-4-3-5-7-16)24-23(25)18-10-14-20(27)15-11-18/h3-15,26-27H,2H2,1H3.
What are the key properties of 4-[3-ethyl-2-(4-hydroxyphenyl)-5-phenylimidazol-4-yl]phenol?
4-[3-ethyl-2-(4-hydroxyphenyl)-5-phenylimidazol-4-yl]phenol has a molecular weight of 356.43 g/mol, XLogP of 5.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-ethyl-2-(4-hydroxyphenyl)-5-phenylimidazol-4-yl]phenol is sourced from PubChem (CID 135484574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).