4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenol

C22H18N2O2 — CID 780762

IUPAC4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenol
SMILESCOc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(O)cc3)[nH]2)cc1
InChIInChI=1S/C22H18N2O2/c1-26-19-13-9-17(10-14-19)22-23-20(15-5-3-2-4-6-15)21(24-22)16-7-11-18(25)12-8-16/h2-14,25H,1H3,(H,23,24)
InChIKeyAVRNBZAXUXYAQX-UHFFFAOYSA-N
MW342.40 g/mol
LogP5.12
Rot. Bonds4

About 4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenol

4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenol (PubChem CID 780762) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenol.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenol
PubChem CID780762
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenol
SMILESCOc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(O)cc3)[nH]2)cc1
InChIInChI=1S/C22H18N2O2/c1-26-19-13-9-17(10-14-19)22-23-20(15-5-3-2-4-6-15)21(24-22)16-7-11-18(25)12-8-16/h2-14,25H,1H3,(H,23,24)
InChIKeyAVRNBZAXUXYAQX-UHFFFAOYSA-N
XLogP5.12
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.40
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenol?
The IUPAC name of 4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenol (CID 780762) is 4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenol.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenol?
The canonical SMILES for 4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenol is COc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(O)cc3)[nH]2)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenol?
The InChIKey is AVRNBZAXUXYAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-26-19-13-9-17(10-14-19)22-23-20(15-5-3-2-4-6-15)21(24-22)16-7-11-18(25)12-8-16/h2-14,25H,1H3,(H,23,24).
What are the key properties of 4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenol?
4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenol has a molecular weight of 342.40 g/mol, XLogP of 5.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenol is sourced from PubChem (CID 780762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).