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

C12H20N2S — CID 81336317

IUPAC3-(2-ethylcyclohexyl)-5-methyl-1H-imidazole-2-thione
SMILESCCC1CCCCC1n1cc(C)[nH]c1=S
InChIInChI=1S/C12H20N2S/c1-3-10-6-4-5-7-11(10)14-8-9(2)13-12(14)15/h8,10-11H,3-7H2,1-2H3,(H,13,15)
InChIKeyGGWBLDSKNSHDPR-UHFFFAOYSA-N
MW224.37 g/mol
LogP4.00
Rot. Bonds2

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

3-(2-ethylcyclohexyl)-5-methyl-1H-imidazole-2-thione (PubChem CID 81336317) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 3-(2-ethylcyclohexyl)-5-methyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(2-ethylcyclohexyl)-5-methyl-1H-imidazole-2-thione
PubChem CID81336317
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name3-(2-ethylcyclohexyl)-5-methyl-1H-imidazole-2-thione
SMILESCCC1CCCCC1n1cc(C)[nH]c1=S
InChIInChI=1S/C12H20N2S/c1-3-10-6-4-5-7-11(10)14-8-9(2)13-12(14)15/h8,10-11H,3-7H2,1-2H3,(H,13,15)
InChIKeyGGWBLDSKNSHDPR-UHFFFAOYSA-N
XLogP4.00
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 54.00
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

3-cyclooctyl-5-methyl-1H-imidazole-2-thione
CID 81336302
5-methyl-3-(2-methylcyclopropyl)-1H-imidazole-2-thione
CID 81335505
3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-methyl-1H-imidazole-2-thione
CID 81336087
5-methyl-3-[(2-methylcyclohexyl)methyl]-1H-imidazole-2-thione
CID 81336321
5-methyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1H-imidazole-2-thione
CID 81335396
3-(1-cyclobutylpropyl)-5-methyl-1H-imidazole-2-thione
CID 130752261
3-(1-cyclopropylpropyl)-5-methyl-1H-imidazole-2-thione
CID 131071274
4-(2-ethylcyclohexyl)-3-phenyl-1H-1,2,4-triazole-5-thione
CID 63546539
1-(2-ethylcyclohexyl)-3-iodo-4-methylpyrazole
CID 79788297
1-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 20980731
4-chloro-1-(2-ethylcyclohexyl)pyrrole-2-carboxylic acid
CID 114604290
3-cyclohexyl-5-methyl-1H-imidazol-2-one
CID 81446613

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylcyclohexyl)-5-methyl-1H-imidazole-2-thione?
The IUPAC name of 3-(2-ethylcyclohexyl)-5-methyl-1H-imidazole-2-thione (CID 81336317) is 3-(2-ethylcyclohexyl)-5-methyl-1H-imidazole-2-thione.
What is the SMILES notation for 3-(2-ethylcyclohexyl)-5-methyl-1H-imidazole-2-thione?
The canonical SMILES for 3-(2-ethylcyclohexyl)-5-methyl-1H-imidazole-2-thione is CCC1CCCCC1n1cc(C)[nH]c1=S.
What is the InChIKey of 3-(2-ethylcyclohexyl)-5-methyl-1H-imidazole-2-thione?
The InChIKey is GGWBLDSKNSHDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-3-10-6-4-5-7-11(10)14-8-9(2)13-12(14)15/h8,10-11H,3-7H2,1-2H3,(H,13,15).
What are the key properties of 3-(2-ethylcyclohexyl)-5-methyl-1H-imidazole-2-thione?
3-(2-ethylcyclohexyl)-5-methyl-1H-imidazole-2-thione has a molecular weight of 224.37 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylcyclohexyl)-5-methyl-1H-imidazole-2-thione is sourced from PubChem (CID 81336317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).