4-phenyl-3-(1-thiophen-3-ylethyl)-1H-imidazole-2-thione

C15H14N2S2 — CID 62842977

IUPAC4-phenyl-3-(1-thiophen-3-ylethyl)-1H-imidazole-2-thione
SMILESCC(c1ccsc1)n1c(-c2ccccc2)c[nH]c1=S
InChIInChI=1S/C15H14N2S2/c1-11(13-7-8-19-10-13)17-14(9-16-15(17)18)12-5-3-2-4-6-12/h2-11H,1H3,(H,16,18)
InChIKeyISKUGBMJUMUNHW-UHFFFAOYSA-N
MW286.43 g/mol
LogP4.88
Rot. Bonds3

About 4-phenyl-3-(1-thiophen-3-ylethyl)-1H-imidazole-2-thione

4-phenyl-3-(1-thiophen-3-ylethyl)-1H-imidazole-2-thione (PubChem CID 62842977) has the molecular formula C15H14N2S2 and a molecular weight of 286.43 g/mol. Its IUPAC name is 4-phenyl-3-(1-thiophen-3-ylethyl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name4-phenyl-3-(1-thiophen-3-ylethyl)-1H-imidazole-2-thione
PubChem CID62842977
Molecular FormulaC15H14N2S2
Molecular Weight286.43 g/mol
Exact Mass286.06
IUPAC Name4-phenyl-3-(1-thiophen-3-ylethyl)-1H-imidazole-2-thione
SMILESCC(c1ccsc1)n1c(-c2ccccc2)c[nH]c1=S
InChIInChI=1S/C15H14N2S2/c1-11(13-7-8-19-10-13)17-14(9-16-15(17)18)12-5-3-2-4-6-12/h2-11H,1H3,(H,16,18)
InChIKeyISKUGBMJUMUNHW-UHFFFAOYSA-N
XLogP4.88
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.43
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(4-bromophenyl)ethyl]-4-phenyl-1H-imidazole-2-thione
CID 63548682
4-tert-butyl-3-(1-thiophen-3-ylethyl)-1H-imidazole-2-thione
CID 81335093
4-phenyl-3-(1-thiophen-2-ylbutyl)-1H-imidazole-2-thione
CID 63548855
4-tert-butyl-3-(1-phenylethyl)-1H-imidazole-2-thione
CID 81339015
3-chloro-5-methyl-4-(1-thiophen-3-ylethyl)-1,2,4-triazole
CID 63385491
3-(2-methylcyclopropyl)-4-phenyl-1H-imidazole-2-thione
CID 62408627
4-phenyl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-imidazole-2-thione
CID 55259317
1-[(1S)-1-thiophen-3-ylethyl]piperazine;dihydrochloride
CID 171280726
N-(1-thiophen-3-ylethyl)aniline
CID 62090283
3-[(5-methylthiophen-2-yl)methyl]-4-phenyl-1H-imidazole-2-thione
CID 55029844
1-(4-phenylpyrazol-1-yl)-1-thiophen-3-ylpropan-2-amine
CID 62770787
2,5-dimethyl-5-phenyl-1-(1-thiophen-3-ylethyl)piperazine
CID 64940197

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-(1-thiophen-3-ylethyl)-1H-imidazole-2-thione?
The IUPAC name of 4-phenyl-3-(1-thiophen-3-ylethyl)-1H-imidazole-2-thione (CID 62842977) is 4-phenyl-3-(1-thiophen-3-ylethyl)-1H-imidazole-2-thione.
What is the SMILES notation for 4-phenyl-3-(1-thiophen-3-ylethyl)-1H-imidazole-2-thione?
The canonical SMILES for 4-phenyl-3-(1-thiophen-3-ylethyl)-1H-imidazole-2-thione is CC(c1ccsc1)n1c(-c2ccccc2)c[nH]c1=S.
What is the InChIKey of 4-phenyl-3-(1-thiophen-3-ylethyl)-1H-imidazole-2-thione?
The InChIKey is ISKUGBMJUMUNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S2/c1-11(13-7-8-19-10-13)17-14(9-16-15(17)18)12-5-3-2-4-6-12/h2-11H,1H3,(H,16,18).
What are the key properties of 4-phenyl-3-(1-thiophen-3-ylethyl)-1H-imidazole-2-thione?
4-phenyl-3-(1-thiophen-3-ylethyl)-1H-imidazole-2-thione has a molecular weight of 286.43 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-(1-thiophen-3-ylethyl)-1H-imidazole-2-thione is sourced from PubChem (CID 62842977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).