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

C23H20N2O3 — CID 1326522

IUPAC4-[2-(2,4-dimethoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenol
SMILESCOc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(O)cc3)[nH]2)c(OC)c1
InChIInChI=1S/C23H20N2O3/c1-27-18-12-13-19(20(14-18)28-2)23-24-21(15-6-4-3-5-7-15)22(25-23)16-8-10-17(26)11-9-16/h3-14,26H,1-2H3,(H,24,25)
InChIKeyLUCOAIDOBHJRCL-UHFFFAOYSA-N
MW372.42 g/mol
LogP5.13
Rot. Bonds5

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

4-[2-(2,4-dimethoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenol (PubChem CID 1326522) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 4-[2-(2,4-dimethoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenol.

Molecular Properties

Compound Name4-[2-(2,4-dimethoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenol
PubChem CID1326522
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name4-[2-(2,4-dimethoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenol
SMILESCOc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(O)cc3)[nH]2)c(OC)c1
InChIInChI=1S/C23H20N2O3/c1-27-18-12-13-19(20(14-18)28-2)23-24-21(15-6-4-3-5-7-15)22(25-23)16-8-10-17(26)11-9-16/h3-14,26H,1-2H3,(H,24,25)
InChIKeyLUCOAIDOBHJRCL-UHFFFAOYSA-N
XLogP5.13
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.42
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2,4-dimethoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenol?
The IUPAC name of 4-[2-(2,4-dimethoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenol (CID 1326522) is 4-[2-(2,4-dimethoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenol.
What is the SMILES notation for 4-[2-(2,4-dimethoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenol?
The canonical SMILES for 4-[2-(2,4-dimethoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenol is COc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(O)cc3)[nH]2)c(OC)c1.
What is the InChIKey of 4-[2-(2,4-dimethoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenol?
The InChIKey is LUCOAIDOBHJRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-27-18-12-13-19(20(14-18)28-2)23-24-21(15-6-4-3-5-7-15)22(25-23)16-8-10-17(26)11-9-16/h3-14,26H,1-2H3,(H,24,25).
What are the key properties of 4-[2-(2,4-dimethoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenol?
4-[2-(2,4-dimethoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenol has a molecular weight of 372.42 g/mol, XLogP of 5.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-dimethoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenol is sourced from PubChem (CID 1326522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).