5-hydroxy-4-methyl-1-phenyl-3-(4-phenylsulfanylphenyl)imidazole-2-thione

C22H18N2OS2 — CID 91189693

IUPAC5-hydroxy-4-methyl-1-phenyl-3-(4-phenylsulfanylphenyl)imidazole-2-thione
SMILESCc1c(O)n(-c2ccccc2)c(=S)n1-c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C22H18N2OS2/c1-16-21(25)24(17-8-4-2-5-9-17)22(26)23(16)18-12-14-20(15-13-18)27-19-10-6-3-7-11-19/h2-15,25H,1H3
InChIKeyQRWRDQTWRCNVPV-UHFFFAOYSA-N
MW390.53 g/mol
LogP6.16
Rot. Bonds4

About 5-hydroxy-4-methyl-1-phenyl-3-(4-phenylsulfanylphenyl)imidazole-2-thione

5-hydroxy-4-methyl-1-phenyl-3-(4-phenylsulfanylphenyl)imidazole-2-thione (PubChem CID 91189693) has the molecular formula C22H18N2OS2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 5-hydroxy-4-methyl-1-phenyl-3-(4-phenylsulfanylphenyl)imidazole-2-thione.

Molecular Properties

Compound Name5-hydroxy-4-methyl-1-phenyl-3-(4-phenylsulfanylphenyl)imidazole-2-thione
PubChem CID91189693
Molecular FormulaC22H18N2OS2
Molecular Weight390.53 g/mol
Exact Mass390.09
IUPAC Name5-hydroxy-4-methyl-1-phenyl-3-(4-phenylsulfanylphenyl)imidazole-2-thione
SMILESCc1c(O)n(-c2ccccc2)c(=S)n1-c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C22H18N2OS2/c1-16-21(25)24(17-8-4-2-5-9-17)22(26)23(16)18-12-14-20(15-13-18)27-19-10-6-3-7-11-19/h2-15,25H,1H3
InChIKeyQRWRDQTWRCNVPV-UHFFFAOYSA-N
XLogP6.16
TPSA30.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 56.16
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

4-hydroxy-5-methyl-1-(4-phenoxyphenyl)-3-phenylimidazole-2-thione
CID 91321923
1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-hydroxy-5-methyl-3-phenylimidazole-2-thione
CID 91390223
1-[4-(4-fluorophenoxy)phenyl]-4-hydroxy-3-(4-methoxyphenyl)-5-methylimidazole-2-thione
CID 90935878
4-hydroxy-1,5-dimethyl-3-phenylimidazol-2-one
CID 13382230
1,4-bis(phenylsulfanyl)benzene;ethane;tritiomethane
CID 158378208
1,3-bis(4-methylphenyl)-4,5-diphenylimidazole-2-thione
CID 12674926
CID 66690055
CID 66690055
4-hydroxy-3-phenyl-5-propan-2-yl-1H-imidazole-2-thione
CID 91536517
5-hydroxy-4-(4-methylphenyl)sulfanyl-1,2-diphenylpyrazol-3-one
CID 10571453
methoxymethane;phenylsulfanylbenzene
CID 175087336
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylsulfanylphenyl)phenyl]carbazole
CID 165075520
15-[4-(4-methylphenyl)sulfanylphenyl]-11,18-diphenyl-11,15,18-triazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
CID 171844861

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-methyl-1-phenyl-3-(4-phenylsulfanylphenyl)imidazole-2-thione?
The IUPAC name of 5-hydroxy-4-methyl-1-phenyl-3-(4-phenylsulfanylphenyl)imidazole-2-thione (CID 91189693) is 5-hydroxy-4-methyl-1-phenyl-3-(4-phenylsulfanylphenyl)imidazole-2-thione.
What is the SMILES notation for 5-hydroxy-4-methyl-1-phenyl-3-(4-phenylsulfanylphenyl)imidazole-2-thione?
The canonical SMILES for 5-hydroxy-4-methyl-1-phenyl-3-(4-phenylsulfanylphenyl)imidazole-2-thione is Cc1c(O)n(-c2ccccc2)c(=S)n1-c1ccc(Sc2ccccc2)cc1.
What is the InChIKey of 5-hydroxy-4-methyl-1-phenyl-3-(4-phenylsulfanylphenyl)imidazole-2-thione?
The InChIKey is QRWRDQTWRCNVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2OS2/c1-16-21(25)24(17-8-4-2-5-9-17)22(26)23(16)18-12-14-20(15-13-18)27-19-10-6-3-7-11-19/h2-15,25H,1H3.
What are the key properties of 5-hydroxy-4-methyl-1-phenyl-3-(4-phenylsulfanylphenyl)imidazole-2-thione?
5-hydroxy-4-methyl-1-phenyl-3-(4-phenylsulfanylphenyl)imidazole-2-thione has a molecular weight of 390.53 g/mol, XLogP of 6.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-methyl-1-phenyl-3-(4-phenylsulfanylphenyl)imidazole-2-thione is sourced from PubChem (CID 91189693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).