4-tert-butyl-3-cyclohexyl-1H-imidazole-2-thione

C13H22N2S — CID 10889988

IUPAC4-tert-butyl-3-cyclohexyl-1H-imidazole-2-thione
SMILESCC(C)(C)c1c[nH]c(=S)n1C1CCCCC1
InChIInChI=1S/C13H22N2S/c1-13(2,3)11-9-14-12(16)15(11)10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3,(H,14,16)
InChIKeyFOQODYPMGYCFFC-UHFFFAOYSA-N
MW238.40 g/mol
LogP4.35
Rot. Bonds1

About 4-tert-butyl-3-cyclohexyl-1H-imidazole-2-thione

4-tert-butyl-3-cyclohexyl-1H-imidazole-2-thione (PubChem CID 10889988) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 4-tert-butyl-3-cyclohexyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name4-tert-butyl-3-cyclohexyl-1H-imidazole-2-thione
PubChem CID10889988
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name4-tert-butyl-3-cyclohexyl-1H-imidazole-2-thione
SMILESCC(C)(C)c1c[nH]c(=S)n1C1CCCCC1
InChIInChI=1S/C13H22N2S/c1-13(2,3)11-9-14-12(16)15(11)10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3,(H,14,16)
InChIKeyFOQODYPMGYCFFC-UHFFFAOYSA-N
XLogP4.35
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 54.35
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

4-t-Butyl-1-isopropyl-1H-imidazole-2-thiol
CID 3845354
4-tert-butyl-3-(5,5,5-trifluoropentyl)-1H-imidazole-2-thione
CID 115521529
Nhgabqwkthvjmr-uhfffaoysa-
CID 10899340
1-cyclohexyl-5-(propan-2-yl)-1,3-dihydro-2H-imidazole-2-thione
CID 12519165
4-tert-butyl-3-propan-2-yl-1H-imidazole-2-thione
CID 22915003
3-hexyl-4-propyl-1H-imidazole-2-thione
CID 23319745
3-cyclohexyl-5-hexyl-1H-imidazole-2-thione
CID 23319749
3-cyclohexyl-4-hexyl-1H-imidazole-2-thione
CID 23319750
3-hexyl-4-methyl-1H-imidazole-2-thione
CID 46188863
3-cyclooctyl-4-propan-2-yl-1H-imidazole-2-thione
CID 64862768
3-(2-methylcyclohexyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64862774
3-(2-ethylcyclohexyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64862782

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-cyclohexyl-1H-imidazole-2-thione?
The IUPAC name of 4-tert-butyl-3-cyclohexyl-1H-imidazole-2-thione (CID 10889988) is 4-tert-butyl-3-cyclohexyl-1H-imidazole-2-thione.
What is the SMILES notation for 4-tert-butyl-3-cyclohexyl-1H-imidazole-2-thione?
The canonical SMILES for 4-tert-butyl-3-cyclohexyl-1H-imidazole-2-thione is CC(C)(C)c1c[nH]c(=S)n1C1CCCCC1.
What is the InChIKey of 4-tert-butyl-3-cyclohexyl-1H-imidazole-2-thione?
The InChIKey is FOQODYPMGYCFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-13(2,3)11-9-14-12(16)15(11)10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3,(H,14,16).
What are the key properties of 4-tert-butyl-3-cyclohexyl-1H-imidazole-2-thione?
4-tert-butyl-3-cyclohexyl-1H-imidazole-2-thione has a molecular weight of 238.40 g/mol, XLogP of 4.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-cyclohexyl-1H-imidazole-2-thione is sourced from PubChem (CID 10889988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).