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

C11H18N2S — CID 60920964

IUPAC3-(2-cyclohexylethyl)-1H-imidazole-2-thione
SMILESS=c1[nH]ccn1CCC1CCCCC1
InChIInChI=1S/C11H18N2S/c14-11-12-7-9-13(11)8-6-10-4-2-1-3-5-10/h7,9-10H,1-6,8H2,(H,12,14)
InChIKeyZKKVIEFWQGXRMQ-UHFFFAOYSA-N
MW210.35 g/mol
LogP3.52
Rot. Bonds3

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

3-(2-cyclohexylethyl)-1H-imidazole-2-thione (PubChem CID 60920964) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 3-(2-cyclohexylethyl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(2-cyclohexylethyl)-1H-imidazole-2-thione
PubChem CID60920964
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name3-(2-cyclohexylethyl)-1H-imidazole-2-thione
SMILESS=c1[nH]ccn1CCC1CCCCC1
InChIInChI=1S/C11H18N2S/c14-11-12-7-9-13(11)8-6-10-4-2-1-3-5-10/h7,9-10H,1-6,8H2,(H,12,14)
InChIKeyZKKVIEFWQGXRMQ-UHFFFAOYSA-N
XLogP3.52
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 53.52
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

1-Decyl-3H-imidazole-2-thione
CID 5244461
3-dodecyl-1H-imidazole-2-thione
CID 11277202
3-nonyl-1H-imidazole-2-thione
CID 12555592
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
1-Octyl-1,3-dihydro-2H-imidazole-2-thione
CID 71371319
3-(Cyclohexylmethyl)-1,2-dihydroimidazole
CID 174930729
3-(4-methylcyclohexyl)-1H-imidazole-2-thione
CID 29062833
3-(cyclopentylmethyl)-1H-imidazole-2-thione
CID 43371190
3-(cyclohexylmethyl)-1H-imidazole-2-thione
CID 43371600
3-(2-cyclopentylethyl)-1H-imidazole-2-thione
CID 60920502

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexylethyl)-1H-imidazole-2-thione?
The IUPAC name of 3-(2-cyclohexylethyl)-1H-imidazole-2-thione (CID 60920964) is 3-(2-cyclohexylethyl)-1H-imidazole-2-thione.
What is the SMILES notation for 3-(2-cyclohexylethyl)-1H-imidazole-2-thione?
The canonical SMILES for 3-(2-cyclohexylethyl)-1H-imidazole-2-thione is S=c1[nH]ccn1CCC1CCCCC1.
What is the InChIKey of 3-(2-cyclohexylethyl)-1H-imidazole-2-thione?
The InChIKey is ZKKVIEFWQGXRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c14-11-12-7-9-13(11)8-6-10-4-2-1-3-5-10/h7,9-10H,1-6,8H2,(H,12,14).
What are the key properties of 3-(2-cyclohexylethyl)-1H-imidazole-2-thione?
3-(2-cyclohexylethyl)-1H-imidazole-2-thione has a molecular weight of 210.35 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexylethyl)-1H-imidazole-2-thione is sourced from PubChem (CID 60920964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).