4-hydroxy-5-methyl-1-(4-phenoxyphenyl)-3-phenylimidazole-2-thione

C22H18N2O2S — CID 91321923

IUPAC4-hydroxy-5-methyl-1-(4-phenoxyphenyl)-3-phenylimidazole-2-thione
SMILESCc1c(O)n(-c2ccccc2)c(=S)n1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H18N2O2S/c1-16-21(25)24(17-8-4-2-5-9-17)22(27)23(16)18-12-14-20(15-13-18)26-19-10-6-3-7-11-19/h2-15,25H,1H3
InChIKeyUTLIAYYCEBIJOD-UHFFFAOYSA-N
MW374.47 g/mol
LogP5.80
Rot. Bonds4

About 4-hydroxy-5-methyl-1-(4-phenoxyphenyl)-3-phenylimidazole-2-thione

4-hydroxy-5-methyl-1-(4-phenoxyphenyl)-3-phenylimidazole-2-thione (PubChem CID 91321923) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-1-(4-phenoxyphenyl)-3-phenylimidazole-2-thione.

Molecular Properties

Compound Name4-hydroxy-5-methyl-1-(4-phenoxyphenyl)-3-phenylimidazole-2-thione
PubChem CID91321923
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC Name4-hydroxy-5-methyl-1-(4-phenoxyphenyl)-3-phenylimidazole-2-thione
SMILESCc1c(O)n(-c2ccccc2)c(=S)n1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H18N2O2S/c1-16-21(25)24(17-8-4-2-5-9-17)22(27)23(16)18-12-14-20(15-13-18)26-19-10-6-3-7-11-19/h2-15,25H,1H3
InChIKeyUTLIAYYCEBIJOD-UHFFFAOYSA-N
XLogP5.80
TPSA39.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.47
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-fluorophenoxy)phenyl]-4-hydroxy-3-(4-methoxyphenyl)-5-methylimidazole-2-thione
CID 90935878
5-hydroxy-4-methyl-1-phenyl-3-(4-phenylsulfanylphenyl)imidazole-2-thione
CID 91189693
6-hydroxy-5-[(5-methylimidazol-4-ylidene)methyl]-1-(4-phenoxyphenyl)-2-sulfanylidenepyrimidin-4-one
CID 136655184
2-methyl-4-phenoxyphenol
CID 23089676
6-methyl-4-oxo-1-(4-phenoxyphenyl)pyridazine-3-carboxylic acid
CID 94962369
5-[3-[4-(diethylamino)phenyl]propa-1,2-dienyl]-6-hydroxy-1-(4-phenoxyphenyl)-2-sulfanylidenepyrimidin-4-one
CID 91189841
6-hydroxy-5-[(6-methylindol-3-ylidene)methyl]-1-(4-phenoxyphenyl)-2-sulfanylidenepyrimidin-4-one
CID 136633172
2,5-dimethyl-N-[(4-phenoxyphenyl)methylideneamino]-1-phenylpyrrole-3-carboxamide
CID 2403557
5-methyl-1-(3-phenoxyphenyl)imidazole-4-carbothioamide
CID 15337941
5-methyl-1-(4-phenoxyphenyl)triazole-4-carboxylic acid
CID 82200952
6-hydroxy-5-[2-methyl-3-(4-propan-2-ylphenyl)prop-1-enyl]-1-(4-phenoxyphenyl)-2-sulfanylidenepyrimidin-4-one
CID 91468087
1,3-bis(4-methylphenyl)-4,5-diphenylimidazole-2-thione
CID 12674926

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-1-(4-phenoxyphenyl)-3-phenylimidazole-2-thione?
The IUPAC name of 4-hydroxy-5-methyl-1-(4-phenoxyphenyl)-3-phenylimidazole-2-thione (CID 91321923) is 4-hydroxy-5-methyl-1-(4-phenoxyphenyl)-3-phenylimidazole-2-thione.
What is the SMILES notation for 4-hydroxy-5-methyl-1-(4-phenoxyphenyl)-3-phenylimidazole-2-thione?
The canonical SMILES for 4-hydroxy-5-methyl-1-(4-phenoxyphenyl)-3-phenylimidazole-2-thione is Cc1c(O)n(-c2ccccc2)c(=S)n1-c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 4-hydroxy-5-methyl-1-(4-phenoxyphenyl)-3-phenylimidazole-2-thione?
The InChIKey is UTLIAYYCEBIJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c1-16-21(25)24(17-8-4-2-5-9-17)22(27)23(16)18-12-14-20(15-13-18)26-19-10-6-3-7-11-19/h2-15,25H,1H3.
What are the key properties of 4-hydroxy-5-methyl-1-(4-phenoxyphenyl)-3-phenylimidazole-2-thione?
4-hydroxy-5-methyl-1-(4-phenoxyphenyl)-3-phenylimidazole-2-thione has a molecular weight of 374.47 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-1-(4-phenoxyphenyl)-3-phenylimidazole-2-thione is sourced from PubChem (CID 91321923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).