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

C12H20N2S — CID 64865518

IUPAC3-(1-methylcyclopentyl)-4-propan-2-yl-1H-imidazole-2-thione
SMILESCC(C)c1c[nH]c(=S)n1C1(C)CCCC1
InChIInChI=1S/C12H20N2S/c1-9(2)10-8-13-11(15)14(10)12(3)6-4-5-7-12/h8-9H,4-7H2,1-3H3,(H,13,15)
InChIKeyTYBVUWSTIYLEPI-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.96
Rot. Bonds2

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

3-(1-methylcyclopentyl)-4-propan-2-yl-1H-imidazole-2-thione (PubChem CID 64865518) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 3-(1-methylcyclopentyl)-4-propan-2-yl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(1-methylcyclopentyl)-4-propan-2-yl-1H-imidazole-2-thione
PubChem CID64865518
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name3-(1-methylcyclopentyl)-4-propan-2-yl-1H-imidazole-2-thione
SMILESCC(C)c1c[nH]c(=S)n1C1(C)CCCC1
InChIInChI=1S/C12H20N2S/c1-9(2)10-8-13-11(15)14(10)12(3)6-4-5-7-12/h8-9H,4-7H2,1-3H3,(H,13,15)
InChIKeyTYBVUWSTIYLEPI-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
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-cyclohexyl-5-(propan-2-yl)-1,3-dihydro-2H-imidazole-2-thione
CID 12519165
4-(1-Methylcyclopentyl)-1,3-dihydroimidazole-2-thione
CID 20361632
3-hexyl-4-propyl-1H-imidazole-2-thione
CID 23319745
4-Cyclopentyl-1,3-dihydroimidazole-2-thione
CID 79006683
4-[(2-Methylcyclopentyl)methyl]-1,3-dihydroimidazole-2-thione
CID 88917736
4-cyclohexyl-3-methyl-1H-imidazole-2-thione
CID 123758189
4-(2-Propylhexyl)-1,3-dihydroimidazole-2-thione
CID 143389056
4-[2-[(2-Sulfanylidene-1,3-dihydroimidazol-4-yl)methyl]pentyl]-1,3-dihydroimidazole-2-thione
CID 12676715
3-(1-methylcyclopentyl)-1H-imidazole-2-thione
CID 64686811
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

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylcyclopentyl)-4-propan-2-yl-1H-imidazole-2-thione?
The IUPAC name of 3-(1-methylcyclopentyl)-4-propan-2-yl-1H-imidazole-2-thione (CID 64865518) is 3-(1-methylcyclopentyl)-4-propan-2-yl-1H-imidazole-2-thione.
What is the SMILES notation for 3-(1-methylcyclopentyl)-4-propan-2-yl-1H-imidazole-2-thione?
The canonical SMILES for 3-(1-methylcyclopentyl)-4-propan-2-yl-1H-imidazole-2-thione is CC(C)c1c[nH]c(=S)n1C1(C)CCCC1.
What is the InChIKey of 3-(1-methylcyclopentyl)-4-propan-2-yl-1H-imidazole-2-thione?
The InChIKey is TYBVUWSTIYLEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-9(2)10-8-13-11(15)14(10)12(3)6-4-5-7-12/h8-9H,4-7H2,1-3H3,(H,13,15).
What are the key properties of 3-(1-methylcyclopentyl)-4-propan-2-yl-1H-imidazole-2-thione?
3-(1-methylcyclopentyl)-4-propan-2-yl-1H-imidazole-2-thione has a molecular weight of 224.37 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylcyclopentyl)-4-propan-2-yl-1H-imidazole-2-thione is sourced from PubChem (CID 64865518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).