3-(3-hydroxyphenyl)-4,5-diphenyl-1H-imidazole-2-thione

C21H16N2OS — CID 10088880

IUPAC3-(3-hydroxyphenyl)-4,5-diphenyl-1H-imidazole-2-thione
SMILESOc1cccc(-n2c(-c3ccccc3)c(-c3ccccc3)[nH]c2=S)c1
InChIInChI=1S/C21H16N2OS/c24-18-13-7-12-17(14-18)23-20(16-10-5-2-6-11-16)19(22-21(23)25)15-8-3-1-4-9-15/h1-14,24H,(H,22,25)
InChIKeyITTKBLFMKWYGQC-UHFFFAOYSA-N
MW344.44 g/mol
LogP5.57
Rot. Bonds3

About 3-(3-hydroxyphenyl)-4,5-diphenyl-1H-imidazole-2-thione

3-(3-hydroxyphenyl)-4,5-diphenyl-1H-imidazole-2-thione (PubChem CID 10088880) has the molecular formula C21H16N2OS and a molecular weight of 344.44 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)-4,5-diphenyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)-4,5-diphenyl-1H-imidazole-2-thione
PubChem CID10088880
Molecular FormulaC21H16N2OS
Molecular Weight344.44 g/mol
Exact Mass344.10
IUPAC Name3-(3-hydroxyphenyl)-4,5-diphenyl-1H-imidazole-2-thione
SMILESOc1cccc(-n2c(-c3ccccc3)c(-c3ccccc3)[nH]c2=S)c1
InChIInChI=1S/C21H16N2OS/c24-18-13-7-12-17(14-18)23-20(16-10-5-2-6-11-16)19(22-21(23)25)15-8-3-1-4-9-15/h1-14,24H,(H,22,25)
InChIKeyITTKBLFMKWYGQC-UHFFFAOYSA-N
XLogP5.57
TPSA40.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.44
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-triphenyl-1H-imidazole-2-thione
CID 807387
3-(4-chlorophenyl)-4,5-diphenyl-1H-imidazole-2-thione
CID 23629014
5-(4-ethoxyphenyl)-3,4-diphenyl-1H-imidazole-2-thione
CID 4126193
5-(4-ethoxyphenyl)-3,4-diphenyl-1H-imidazole-2-thione;hydrobromide
CID 45046253
3-(4-nitrophenyl)-4,5-diphenyl-1H-imidazole-2-thione
CID 23629013
3-(3H-benzimidazol-5-yl)-5-hydroxy-4-(4-phenylphenyl)-1H-imidazole-2-thione
CID 91266966
4-(3-hydroxyphenyl)-1,2,4-triazolidine-3,5-dione
CID 107409889
3-(3-phenyl-1,2,4-triazol-1-yl)phenol
CID 146226315
3-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)phenol
CID 4842961
3,6-diphenyl-2-sulfanylidene-1H-pyrimidin-4-one
CID 15733471
3-hydroxy-4-methyl-5-phenyl-1H-imidazole-2-thione
CID 54260632
5-(4-hydroxyphenyl)-3-phenyl-1H-imidazole-2-thione
CID 24964312

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)-4,5-diphenyl-1H-imidazole-2-thione?
The IUPAC name of 3-(3-hydroxyphenyl)-4,5-diphenyl-1H-imidazole-2-thione (CID 10088880) is 3-(3-hydroxyphenyl)-4,5-diphenyl-1H-imidazole-2-thione.
What is the SMILES notation for 3-(3-hydroxyphenyl)-4,5-diphenyl-1H-imidazole-2-thione?
The canonical SMILES for 3-(3-hydroxyphenyl)-4,5-diphenyl-1H-imidazole-2-thione is Oc1cccc(-n2c(-c3ccccc3)c(-c3ccccc3)[nH]c2=S)c1.
What is the InChIKey of 3-(3-hydroxyphenyl)-4,5-diphenyl-1H-imidazole-2-thione?
The InChIKey is ITTKBLFMKWYGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2OS/c24-18-13-7-12-17(14-18)23-20(16-10-5-2-6-11-16)19(22-21(23)25)15-8-3-1-4-9-15/h1-14,24H,(H,22,25).
What are the key properties of 3-(3-hydroxyphenyl)-4,5-diphenyl-1H-imidazole-2-thione?
3-(3-hydroxyphenyl)-4,5-diphenyl-1H-imidazole-2-thione has a molecular weight of 344.44 g/mol, XLogP of 5.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)-4,5-diphenyl-1H-imidazole-2-thione is sourced from PubChem (CID 10088880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).