4-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-methoxyphenol

C28H21ClN2O2 — CID 155928271

IUPAC4-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-methoxyphenol
SMILESCOc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2-c2ccc(Cl)cc2)ccc1O
InChIInChI=1S/C28H21ClN2O2/c1-33-25-18-21(12-17-24(25)32)28-30-26(19-8-4-2-5-9-19)27(20-10-6-3-7-11-20)31(28)23-15-13-22(29)14-16-23/h2-18,32H,1H3
InChIKeyWHUXLXOHDSGPFC-UHFFFAOYSA-N
MW452.94 g/mol
LogP7.24
Rot. Bonds5

About 4-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-methoxyphenol

4-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-methoxyphenol (PubChem CID 155928271) has the molecular formula C28H21ClN2O2 and a molecular weight of 452.94 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-methoxyphenol
PubChem CID155928271
Molecular FormulaC28H21ClN2O2
Molecular Weight452.94 g/mol
Exact Mass452.13
IUPAC Name4-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-methoxyphenol
SMILESCOc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2-c2ccc(Cl)cc2)ccc1O
InChIInChI=1S/C28H21ClN2O2/c1-33-25-18-21(12-17-24(25)32)28-30-26(19-8-4-2-5-9-19)27(20-10-6-3-7-11-20)31(28)23-15-13-22(29)14-16-23/h2-18,32H,1H3
InChIKeyWHUXLXOHDSGPFC-UHFFFAOYSA-N
XLogP7.24
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.94
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-methoxyphenol?
The IUPAC name of 4-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-methoxyphenol (CID 155928271) is 4-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-methoxyphenol.
What is the SMILES notation for 4-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-methoxyphenol?
The canonical SMILES for 4-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-methoxyphenol is COc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2-c2ccc(Cl)cc2)ccc1O.
What is the InChIKey of 4-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-methoxyphenol?
The InChIKey is WHUXLXOHDSGPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClN2O2/c1-33-25-18-21(12-17-24(25)32)28-30-26(19-8-4-2-5-9-19)27(20-10-6-3-7-11-20)31(28)23-15-13-22(29)14-16-23/h2-18,32H,1H3.
What are the key properties of 4-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-methoxyphenol?
4-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-methoxyphenol has a molecular weight of 452.94 g/mol, XLogP of 7.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-methoxyphenol is sourced from PubChem (CID 155928271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).