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

C11H18N2S — CID 81336195

IUPAC5-methyl-3-(3-methylcyclohexyl)-1H-imidazole-2-thione
SMILESCc1cn(C2CCCC(C)C2)c(=S)[nH]1
InChIInChI=1S/C11H18N2S/c1-8-4-3-5-10(6-8)13-7-9(2)12-11(13)14/h7-8,10H,3-6H2,1-2H3,(H,12,14)
InChIKeyOYDBUZHKUCMHJN-UHFFFAOYSA-N
MW210.35 g/mol
LogP3.61
Rot. Bonds1

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

5-methyl-3-(3-methylcyclohexyl)-1H-imidazole-2-thione (PubChem CID 81336195) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 5-methyl-3-(3-methylcyclohexyl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name5-methyl-3-(3-methylcyclohexyl)-1H-imidazole-2-thione
PubChem CID81336195
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name5-methyl-3-(3-methylcyclohexyl)-1H-imidazole-2-thione
SMILESCc1cn(C2CCCC(C)C2)c(=S)[nH]1
InChIInChI=1S/C11H18N2S/c1-8-4-3-5-10(6-8)13-7-9(2)12-11(13)14/h7-8,10H,3-6H2,1-2H3,(H,12,14)
InChIKeyOYDBUZHKUCMHJN-UHFFFAOYSA-N
XLogP3.61
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 53.61
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

5-methyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1H-imidazole-2-thione
CID 81335396
3-cyclooctyl-5-methyl-1H-imidazole-2-thione
CID 81336302
5-methyl-3-(2-methylcyclopropyl)-1H-imidazole-2-thione
CID 81335505
3-(1-benzyl-5-methylpyrrolidin-3-yl)-5-methyl-1H-imidazole-2-thione
CID 131223441
3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-methyl-1H-imidazole-2-thione
CID 81336087
3-(2-ethylcyclohexyl)-5-methyl-1H-imidazole-2-thione
CID 81336317
5-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione
CID 81335279
6-fluoro-5-methyl-3-(3-methylcyclohexyl)-1H-benzimidazole-2-thione
CID 103592088
3-amino-4-(3-methylcyclohexyl)-1H-1,2,4-triazole-5-thione
CID 64574523
3-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-1H-imidazole-2-thione
CID 81335487
5-methyl-3-[(2-methylcyclohexyl)methyl]-1H-imidazole-2-thione
CID 81336321
6-bromo-3-(3-methylcyclohexyl)-1H-benzimidazole-2-thione
CID 43660964

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(3-methylcyclohexyl)-1H-imidazole-2-thione?
The IUPAC name of 5-methyl-3-(3-methylcyclohexyl)-1H-imidazole-2-thione (CID 81336195) is 5-methyl-3-(3-methylcyclohexyl)-1H-imidazole-2-thione.
What is the SMILES notation for 5-methyl-3-(3-methylcyclohexyl)-1H-imidazole-2-thione?
The canonical SMILES for 5-methyl-3-(3-methylcyclohexyl)-1H-imidazole-2-thione is Cc1cn(C2CCCC(C)C2)c(=S)[nH]1.
What is the InChIKey of 5-methyl-3-(3-methylcyclohexyl)-1H-imidazole-2-thione?
The InChIKey is OYDBUZHKUCMHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-8-4-3-5-10(6-8)13-7-9(2)12-11(13)14/h7-8,10H,3-6H2,1-2H3,(H,12,14).
What are the key properties of 5-methyl-3-(3-methylcyclohexyl)-1H-imidazole-2-thione?
5-methyl-3-(3-methylcyclohexyl)-1H-imidazole-2-thione has a molecular weight of 210.35 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(3-methylcyclohexyl)-1H-imidazole-2-thione is sourced from PubChem (CID 81336195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).