3-(4,4-dimethylcyclohexyl)-4-propan-2-yl-1H-imidazole-2-thione

C14H24N2S — CID 64864536

IUPAC3-(4,4-dimethylcyclohexyl)-4-propan-2-yl-1H-imidazole-2-thione
SMILESCC(C)c1c[nH]c(=S)n1C1CCC(C)(C)CC1
InChIInChI=1S/C14H24N2S/c1-10(2)12-9-15-13(17)16(12)11-5-7-14(3,4)8-6-11/h9-11H,5-8H2,1-4H3,(H,15,17)
InChIKeyWLCVQJMZQJFJOD-UHFFFAOYSA-N
MW252.43 g/mol
LogP4.81
Rot. Bonds2

About 3-(4,4-dimethylcyclohexyl)-4-propan-2-yl-1H-imidazole-2-thione

3-(4,4-dimethylcyclohexyl)-4-propan-2-yl-1H-imidazole-2-thione (PubChem CID 64864536) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 3-(4,4-dimethylcyclohexyl)-4-propan-2-yl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(4,4-dimethylcyclohexyl)-4-propan-2-yl-1H-imidazole-2-thione
PubChem CID64864536
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name3-(4,4-dimethylcyclohexyl)-4-propan-2-yl-1H-imidazole-2-thione
SMILESCC(C)c1c[nH]c(=S)n1C1CCC(C)(C)CC1
InChIInChI=1S/C14H24N2S/c1-10(2)12-9-15-13(17)16(12)11-5-7-14(3,4)8-6-11/h9-11H,5-8H2,1-4H3,(H,15,17)
InChIKeyWLCVQJMZQJFJOD-UHFFFAOYSA-N
XLogP4.81
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 54.81
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

Foqodypmgycffc-uhfffaoysa-
CID 10889988
1-cyclohexyl-5-(propan-2-yl)-1,3-dihydro-2H-imidazole-2-thione
CID 12519165
4-(1-Methylcyclohexyl)-1,3-dihydroimidazole-2-thione
CID 20361663
4-cyclohexyl-3-methyl-1H-imidazole-2-thione
CID 123758189
3-(4,4-dimethylcyclohexyl)-1H-imidazole-2-thione
CID 64395281
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
3-(1-methylcyclohexyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64862787
3-(4-ethylcyclohexyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64862980
3-(4-methylcyclohexyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64863166
3-(6-methylheptan-2-yl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64863176
3-[(1-methylcyclopentyl)methyl]-4-propan-2-yl-1H-imidazole-2-thione
CID 64863186

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethylcyclohexyl)-4-propan-2-yl-1H-imidazole-2-thione?
The IUPAC name of 3-(4,4-dimethylcyclohexyl)-4-propan-2-yl-1H-imidazole-2-thione (CID 64864536) is 3-(4,4-dimethylcyclohexyl)-4-propan-2-yl-1H-imidazole-2-thione.
What is the SMILES notation for 3-(4,4-dimethylcyclohexyl)-4-propan-2-yl-1H-imidazole-2-thione?
The canonical SMILES for 3-(4,4-dimethylcyclohexyl)-4-propan-2-yl-1H-imidazole-2-thione is CC(C)c1c[nH]c(=S)n1C1CCC(C)(C)CC1.
What is the InChIKey of 3-(4,4-dimethylcyclohexyl)-4-propan-2-yl-1H-imidazole-2-thione?
The InChIKey is WLCVQJMZQJFJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-10(2)12-9-15-13(17)16(12)11-5-7-14(3,4)8-6-11/h9-11H,5-8H2,1-4H3,(H,15,17).
What are the key properties of 3-(4,4-dimethylcyclohexyl)-4-propan-2-yl-1H-imidazole-2-thione?
3-(4,4-dimethylcyclohexyl)-4-propan-2-yl-1H-imidazole-2-thione has a molecular weight of 252.43 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethylcyclohexyl)-4-propan-2-yl-1H-imidazole-2-thione is sourced from PubChem (CID 64864536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).