4-[4-[(E)-2-[4-(2,4-difluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]ethenyl]phenyl]phenol

C31H24F2N2O — CID 143094936

IUPAC4-[4-[(E)-2-[4-(2,4-difluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]ethenyl]phenyl]phenol
SMILESCc1ccc(Cn2cc(-c3ccc(F)cc3F)nc2/C=C/c2ccc(-c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C31H24F2N2O/c1-21-2-4-23(5-3-21)19-35-20-30(28-16-13-26(32)18-29(28)33)34-31(35)17-8-22-6-9-24(10-7-22)25-11-14-27(36)15-12-25/h2-18,20,36H,19H2,1H3/b17-8+
InChIKeyWLYCWGBYYBDCDA-CAOOACKPSA-N
MW478.54 g/mol
LogP7.73
Rot. Bonds6

About 4-[4-[(E)-2-[4-(2,4-difluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]ethenyl]phenyl]phenol

4-[4-[(E)-2-[4-(2,4-difluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]ethenyl]phenyl]phenol (PubChem CID 143094936) has the molecular formula C31H24F2N2O and a molecular weight of 478.54 g/mol. Its IUPAC name is 4-[4-[(E)-2-[4-(2,4-difluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]ethenyl]phenyl]phenol.

Molecular Properties

Compound Name4-[4-[(E)-2-[4-(2,4-difluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]ethenyl]phenyl]phenol
PubChem CID143094936
Molecular FormulaC31H24F2N2O
Molecular Weight478.54 g/mol
Exact Mass478.19
IUPAC Name4-[4-[(E)-2-[4-(2,4-difluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]ethenyl]phenyl]phenol
SMILESCc1ccc(Cn2cc(-c3ccc(F)cc3F)nc2/C=C/c2ccc(-c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C31H24F2N2O/c1-21-2-4-23(5-3-21)19-35-20-30(28-16-13-26(32)18-29(28)33)34-31(35)17-8-22-6-9-24(10-7-22)25-11-14-27(36)15-12-25/h2-18,20,36H,19H2,1H3/b17-8+
InChIKeyWLYCWGBYYBDCDA-CAOOACKPSA-N
XLogP7.73
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.54
LogP ≤ 57.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(E)-2-[4-(2,4-difluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]ethenyl]phenyl]phenol?
The IUPAC name of 4-[4-[(E)-2-[4-(2,4-difluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]ethenyl]phenyl]phenol (CID 143094936) is 4-[4-[(E)-2-[4-(2,4-difluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]ethenyl]phenyl]phenol.
What is the SMILES notation for 4-[4-[(E)-2-[4-(2,4-difluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]ethenyl]phenyl]phenol?
The canonical SMILES for 4-[4-[(E)-2-[4-(2,4-difluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]ethenyl]phenyl]phenol is Cc1ccc(Cn2cc(-c3ccc(F)cc3F)nc2/C=C/c2ccc(-c3ccc(O)cc3)cc2)cc1.
What is the InChIKey of 4-[4-[(E)-2-[4-(2,4-difluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]ethenyl]phenyl]phenol?
The InChIKey is WLYCWGBYYBDCDA-CAOOACKPSA-N. The full InChI is InChI=1S/C31H24F2N2O/c1-21-2-4-23(5-3-21)19-35-20-30(28-16-13-26(32)18-29(28)33)34-31(35)17-8-22-6-9-24(10-7-22)25-11-14-27(36)15-12-25/h2-18,20,36H,19H2,1H3/b17-8+.
What are the key properties of 4-[4-[(E)-2-[4-(2,4-difluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]ethenyl]phenyl]phenol?
4-[4-[(E)-2-[4-(2,4-difluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]ethenyl]phenyl]phenol has a molecular weight of 478.54 g/mol, XLogP of 7.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(E)-2-[4-(2,4-difluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]ethenyl]phenyl]phenol is sourced from PubChem (CID 143094936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).