3-(1-cyclohexylpropyl)-1H-imidazole-2-thione

C12H20N2S — CID 62405249

IUPAC3-(1-cyclohexylpropyl)-1H-imidazole-2-thione
SMILESCCC(C1CCCCC1)n1cc[nH]c1=S
InChIInChI=1S/C12H20N2S/c1-2-11(10-6-4-3-5-7-10)14-9-8-13-12(14)15/h8-11H,2-7H2,1H3,(H,13,15)
InChIKeyZRDFKJPBPGTACC-UHFFFAOYSA-N
MW224.37 g/mol
LogP4.08
Rot. Bonds3

About 3-(1-cyclohexylpropyl)-1H-imidazole-2-thione

3-(1-cyclohexylpropyl)-1H-imidazole-2-thione (PubChem CID 62405249) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 3-(1-cyclohexylpropyl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(1-cyclohexylpropyl)-1H-imidazole-2-thione
PubChem CID62405249
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name3-(1-cyclohexylpropyl)-1H-imidazole-2-thione
SMILESCCC(C1CCCCC1)n1cc[nH]c1=S
InChIInChI=1S/C12H20N2S/c1-2-11(10-6-4-3-5-7-10)14-9-8-13-12(14)15/h8-11H,2-7H2,1H3,(H,13,15)
InChIKeyZRDFKJPBPGTACC-UHFFFAOYSA-N
XLogP4.08
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 54.08
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-[4-(trifluoromethyl)cyclohexyl]-1H-imidazole-2-thione
CID 44558354
3-[3-(trifluoromethyl)cyclohexyl]-1H-imidazole-2-thione
CID 44558357
3-[2-(trifluoromethyl)cyclohexyl]-1H-imidazole-2-thione
CID 44558360
4-cyclohexyl-3-methyl-1H-imidazole-2-thione
CID 123758189
3-[(Z)-prop-1-enyl]-4,5,5a,6,7,8,9,9a-octahydro-1H-benzo[d][1,3]diazepine-2-thione
CID 142036994
[4-(1,2-Dihydroimidazol-3-yl)cyclohexyl]methanamine;ethane
CID 143829306
3-(4-methylcyclohexyl)-1H-imidazole-2-thione
CID 29062833
3-(cyclohexylmethyl)-1H-imidazole-2-thione
CID 43371600
3-(2-cyclopentylethyl)-1H-imidazole-2-thione
CID 60920502
3-(2-cyclohexylethyl)-1H-imidazole-2-thione
CID 60920964
3-(3-methylpentan-2-yl)-1H-imidazole-2-thione
CID 61463657
3-heptan-2-yl-1H-imidazole-2-thione
CID 61467453

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexylpropyl)-1H-imidazole-2-thione?
The IUPAC name of 3-(1-cyclohexylpropyl)-1H-imidazole-2-thione (CID 62405249) is 3-(1-cyclohexylpropyl)-1H-imidazole-2-thione.
What is the SMILES notation for 3-(1-cyclohexylpropyl)-1H-imidazole-2-thione?
The canonical SMILES for 3-(1-cyclohexylpropyl)-1H-imidazole-2-thione is CCC(C1CCCCC1)n1cc[nH]c1=S.
What is the InChIKey of 3-(1-cyclohexylpropyl)-1H-imidazole-2-thione?
The InChIKey is ZRDFKJPBPGTACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-2-11(10-6-4-3-5-7-10)14-9-8-13-12(14)15/h8-11H,2-7H2,1H3,(H,13,15).
What are the key properties of 3-(1-cyclohexylpropyl)-1H-imidazole-2-thione?
3-(1-cyclohexylpropyl)-1H-imidazole-2-thione has a molecular weight of 224.37 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexylpropyl)-1H-imidazole-2-thione is sourced from PubChem (CID 62405249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).