5-methyl-3-(1-phenylethyl)-1H-imidazole-2-thione

C12H14N2S — CID 81335015

IUPAC5-methyl-3-(1-phenylethyl)-1H-imidazole-2-thione
SMILESCc1cn(C(C)c2ccccc2)c(=S)[nH]1
InChIInChI=1S/C12H14N2S/c1-9-8-14(12(15)13-9)10(2)11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,13,15)
InChIKeyIAXWITRGLNXXMX-UHFFFAOYSA-N
MW218.32 g/mol
LogP3.46
Rot. Bonds2

About 5-methyl-3-(1-phenylethyl)-1H-imidazole-2-thione

5-methyl-3-(1-phenylethyl)-1H-imidazole-2-thione (PubChem CID 81335015) has the molecular formula C12H14N2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 5-methyl-3-(1-phenylethyl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name5-methyl-3-(1-phenylethyl)-1H-imidazole-2-thione
PubChem CID81335015
Molecular FormulaC12H14N2S
Molecular Weight218.32 g/mol
Exact Mass218.09
IUPAC Name5-methyl-3-(1-phenylethyl)-1H-imidazole-2-thione
SMILESCc1cn(C(C)c2ccccc2)c(=S)[nH]1
InChIInChI=1S/C12H14N2S/c1-9-8-14(12(15)13-9)10(2)11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,13,15)
InChIKeyIAXWITRGLNXXMX-UHFFFAOYSA-N
XLogP3.46
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-3-[1-(4-methylphenyl)ethyl]-1H-imidazole-2-thione
CID 81335617
3-[1-(2-fluorophenyl)ethyl]-5-methyl-1H-imidazole-2-thione
CID 81334671
5-methyl-3-(2-phenylpropyl)-1H-imidazole-2-thione
CID 104592057
5-methyl-3-[1-(1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazole-2-thione
CID 130870997
3-(1-cyclopropylethyl)-5-methyl-1H-imidazole-2-thione
CID 81335021
4-tert-butyl-3-(1-phenylethyl)-1H-imidazole-2-thione
CID 81339015
3-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methyl-1H-imidazole-2-thione
CID 81335615
9-(1-phenylethyl)carbazole
CID 154375313
4-methyl-2-[(1S)-1-phenylethyl]isoquinolin-1-one
CID 102208891
2-methyl-1-[(1R)-1-phenylethyl]imidazole
CID 76960079
3-(2-benzylphenyl)-5-methyl-1H-imidazole-2-thione
CID 81334659
3-(1-cyclopropylpropyl)-5-methyl-1H-imidazole-2-thione
CID 131071274

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(1-phenylethyl)-1H-imidazole-2-thione?
The IUPAC name of 5-methyl-3-(1-phenylethyl)-1H-imidazole-2-thione (CID 81335015) is 5-methyl-3-(1-phenylethyl)-1H-imidazole-2-thione.
What is the SMILES notation for 5-methyl-3-(1-phenylethyl)-1H-imidazole-2-thione?
The canonical SMILES for 5-methyl-3-(1-phenylethyl)-1H-imidazole-2-thione is Cc1cn(C(C)c2ccccc2)c(=S)[nH]1.
What is the InChIKey of 5-methyl-3-(1-phenylethyl)-1H-imidazole-2-thione?
The InChIKey is IAXWITRGLNXXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-9-8-14(12(15)13-9)10(2)11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,13,15).
What are the key properties of 5-methyl-3-(1-phenylethyl)-1H-imidazole-2-thione?
5-methyl-3-(1-phenylethyl)-1H-imidazole-2-thione has a molecular weight of 218.32 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(1-phenylethyl)-1H-imidazole-2-thione is sourced from PubChem (CID 81335015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).