5-methyl-3-[(2-methylcyclohexyl)methyl]-1H-imidazole-2-thione

C12H20N2S — CID 81336321

IUPAC5-methyl-3-[(2-methylcyclohexyl)methyl]-1H-imidazole-2-thione
SMILESCc1cn(CC2CCCCC2C)c(=S)[nH]1
InChIInChI=1S/C12H20N2S/c1-9-5-3-4-6-11(9)8-14-7-10(2)13-12(14)15/h7,9,11H,3-6,8H2,1-2H3,(H,13,15)
InChIKeyRZWGRIOCWZMNQW-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.68
Rot. Bonds2

About 5-methyl-3-[(2-methylcyclohexyl)methyl]-1H-imidazole-2-thione

5-methyl-3-[(2-methylcyclohexyl)methyl]-1H-imidazole-2-thione (PubChem CID 81336321) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 5-methyl-3-[(2-methylcyclohexyl)methyl]-1H-imidazole-2-thione.

Molecular Properties

Compound Name5-methyl-3-[(2-methylcyclohexyl)methyl]-1H-imidazole-2-thione
PubChem CID81336321
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name5-methyl-3-[(2-methylcyclohexyl)methyl]-1H-imidazole-2-thione
SMILESCc1cn(CC2CCCCC2C)c(=S)[nH]1
InChIInChI=1S/C12H20N2S/c1-9-5-3-4-6-11(9)8-14-7-10(2)13-12(14)15/h7,9,11H,3-6,8H2,1-2H3,(H,13,15)
InChIKeyRZWGRIOCWZMNQW-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
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-(2-ethylcyclohexyl)-5-methyl-1H-imidazole-2-thione
CID 81336317
3-(2,2-dicyclopropylethyl)-5-methyl-1H-imidazole-2-thione
CID 81335983
3-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-1H-imidazole-2-thione
CID 81336213
3-cyclooctyl-5-methyl-1H-imidazole-2-thione
CID 81336302
4-[(2-methylcyclohexyl)methyl]-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
CID 63547261
3-[(2-methylcyclopentyl)methyl]-1H-imidazol-2-one
CID 107421362
5-methyl-3-(3-methylcyclohexyl)-1H-imidazole-2-thione
CID 81336195
5-methyl-3-(2-methylcyclopropyl)-1H-imidazole-2-thione
CID 81335505
3-[(2-methylcyclohexyl)methyl]-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
CID 55013546
3-[(2-methylcyclohexyl)methyl]-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one
CID 55013547
6-chloro-5-fluoro-3-[(2-methylcyclopentyl)methyl]-1H-benzimidazole-2-thione
CID 107419570
3-(1-cyclobutylpropyl)-5-methyl-1H-imidazole-2-thione
CID 130752261

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(2-methylcyclohexyl)methyl]-1H-imidazole-2-thione?
The IUPAC name of 5-methyl-3-[(2-methylcyclohexyl)methyl]-1H-imidazole-2-thione (CID 81336321) is 5-methyl-3-[(2-methylcyclohexyl)methyl]-1H-imidazole-2-thione.
What is the SMILES notation for 5-methyl-3-[(2-methylcyclohexyl)methyl]-1H-imidazole-2-thione?
The canonical SMILES for 5-methyl-3-[(2-methylcyclohexyl)methyl]-1H-imidazole-2-thione is Cc1cn(CC2CCCCC2C)c(=S)[nH]1.
What is the InChIKey of 5-methyl-3-[(2-methylcyclohexyl)methyl]-1H-imidazole-2-thione?
The InChIKey is RZWGRIOCWZMNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-9-5-3-4-6-11(9)8-14-7-10(2)13-12(14)15/h7,9,11H,3-6,8H2,1-2H3,(H,13,15).
What are the key properties of 5-methyl-3-[(2-methylcyclohexyl)methyl]-1H-imidazole-2-thione?
5-methyl-3-[(2-methylcyclohexyl)methyl]-1H-imidazole-2-thione has a molecular weight of 224.37 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(2-methylcyclohexyl)methyl]-1H-imidazole-2-thione is sourced from PubChem (CID 81336321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).