3-(2,3-dimethylcyclopentyl)-1H-imidazole-2-thione

C10H16N2S — CID 64922830

IUPAC3-(2,3-dimethylcyclopentyl)-1H-imidazole-2-thione
SMILESCC1CCC(n2cc[nH]c2=S)C1C
InChIInChI=1S/C10H16N2S/c1-7-3-4-9(8(7)2)12-6-5-11-10(12)13/h5-9H,3-4H2,1-2H3,(H,11,13)
InChIKeyXLVSVGGDTGFXKS-UHFFFAOYSA-N
MW196.32 g/mol
LogP3.15
Rot. Bonds1

About 3-(2,3-dimethylcyclopentyl)-1H-imidazole-2-thione

3-(2,3-dimethylcyclopentyl)-1H-imidazole-2-thione (PubChem CID 64922830) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 3-(2,3-dimethylcyclopentyl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(2,3-dimethylcyclopentyl)-1H-imidazole-2-thione
PubChem CID64922830
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name3-(2,3-dimethylcyclopentyl)-1H-imidazole-2-thione
SMILESCC1CCC(n2cc[nH]c2=S)C1C
InChIInChI=1S/C10H16N2S/c1-7-3-4-9(8(7)2)12-6-5-11-10(12)13/h5-9H,3-4H2,1-2H3,(H,11,13)
InChIKeyXLVSVGGDTGFXKS-UHFFFAOYSA-N
XLogP3.15
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 53.15
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-(4-methylcyclohexyl)-1H-imidazole-2-thione
CID 29062833
3-(2-cyclopentylethyl)-1H-imidazole-2-thione
CID 60920502
3-(6-methylheptan-2-yl)-1H-imidazole-2-thione
CID 61472533
3-(1-cyclohexylethyl)-1H-imidazole-2-thione
CID 62405248
3-(1-cyclohexylpropyl)-1H-imidazole-2-thione
CID 62405249
3-(2-methylcyclopentyl)-1H-imidazole-2-thione
CID 63281731
3-(5-methylhexan-2-yl)-1H-imidazole-2-thione
CID 63926515
3-(1-cyclopropylbutan-2-yl)-1H-imidazole-2-thione
CID 64002120
3-(1-cyclopentylethyl)-1H-imidazole-2-thione
CID 64112505
3-(1-methylcyclopentyl)-1H-imidazole-2-thione
CID 64686811
3-(3-ethyl-2-methylcyclopentyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64914244
3-(3-ethyl-2-methylcyclopentyl)-1H-imidazole-2-thione
CID 64917031

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylcyclopentyl)-1H-imidazole-2-thione?
The IUPAC name of 3-(2,3-dimethylcyclopentyl)-1H-imidazole-2-thione (CID 64922830) is 3-(2,3-dimethylcyclopentyl)-1H-imidazole-2-thione.
What is the SMILES notation for 3-(2,3-dimethylcyclopentyl)-1H-imidazole-2-thione?
The canonical SMILES for 3-(2,3-dimethylcyclopentyl)-1H-imidazole-2-thione is CC1CCC(n2cc[nH]c2=S)C1C.
What is the InChIKey of 3-(2,3-dimethylcyclopentyl)-1H-imidazole-2-thione?
The InChIKey is XLVSVGGDTGFXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-7-3-4-9(8(7)2)12-6-5-11-10(12)13/h5-9H,3-4H2,1-2H3,(H,11,13).
What are the key properties of 3-(2,3-dimethylcyclopentyl)-1H-imidazole-2-thione?
3-(2,3-dimethylcyclopentyl)-1H-imidazole-2-thione has a molecular weight of 196.32 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylcyclopentyl)-1H-imidazole-2-thione is sourced from PubChem (CID 64922830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).