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

C13H22N2S — CID 64863186

IUPAC3-[(1-methylcyclopentyl)methyl]-4-propan-2-yl-1H-imidazole-2-thione
SMILESCC(C)c1c[nH]c(=S)n1CC1(C)CCCC1
InChIInChI=1S/C13H22N2S/c1-10(2)11-8-14-12(16)15(11)9-13(3)6-4-5-7-13/h8,10H,4-7,9H2,1-3H3,(H,14,16)
InChIKeyDYVXVIVHTCXYIU-UHFFFAOYSA-N
MW238.40 g/mol
LogP4.25
Rot. Bonds3

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

3-[(1-methylcyclopentyl)methyl]-4-propan-2-yl-1H-imidazole-2-thione (PubChem CID 64863186) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 3-[(1-methylcyclopentyl)methyl]-4-propan-2-yl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-[(1-methylcyclopentyl)methyl]-4-propan-2-yl-1H-imidazole-2-thione
PubChem CID64863186
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name3-[(1-methylcyclopentyl)methyl]-4-propan-2-yl-1H-imidazole-2-thione
SMILESCC(C)c1c[nH]c(=S)n1CC1(C)CCCC1
InChIInChI=1S/C13H22N2S/c1-10(2)11-8-14-12(16)15(11)9-13(3)6-4-5-7-13/h8,10H,4-7,9H2,1-3H3,(H,14,16)
InChIKeyDYVXVIVHTCXYIU-UHFFFAOYSA-N
XLogP4.25
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 54.25
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

4-(1-Methylcyclopentyl)-1,3-dihydroimidazole-2-thione
CID 20361632
4-Cyclopentyl-1,3-dihydroimidazole-2-thione
CID 79006683
4-cyclohexyl-3-methyl-1H-imidazole-2-thione
CID 123758189
4-(2,4,4-Trimethylhexan-2-yl)-1,3-dihydroimidazole-2-thione
CID 176689535
Ethane;4-(2,4,4-trimethylhexan-2-yl)-1,3-dihydroimidazole-2-thione
CID 176691279
4-[2-[(2-Sulfanylidene-1,3-dihydroimidazol-4-yl)methyl]pentyl]-1,3-dihydroimidazole-2-thione
CID 12676715
3-[(1-methylcyclopentyl)methyl]-1H-imidazole-2-thione
CID 63829416
3-(2-methylcyclohexyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64862774
3-(1-methylcyclohexyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64862787
3-(2-methylbutyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64862794
3-(2-methylpentan-3-yl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64862982
3-pentyl-4-propan-2-yl-1H-imidazole-2-thione
CID 64863161

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylcyclopentyl)methyl]-4-propan-2-yl-1H-imidazole-2-thione?
The IUPAC name of 3-[(1-methylcyclopentyl)methyl]-4-propan-2-yl-1H-imidazole-2-thione (CID 64863186) is 3-[(1-methylcyclopentyl)methyl]-4-propan-2-yl-1H-imidazole-2-thione.
What is the SMILES notation for 3-[(1-methylcyclopentyl)methyl]-4-propan-2-yl-1H-imidazole-2-thione?
The canonical SMILES for 3-[(1-methylcyclopentyl)methyl]-4-propan-2-yl-1H-imidazole-2-thione is CC(C)c1c[nH]c(=S)n1CC1(C)CCCC1.
What is the InChIKey of 3-[(1-methylcyclopentyl)methyl]-4-propan-2-yl-1H-imidazole-2-thione?
The InChIKey is DYVXVIVHTCXYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-10(2)11-8-14-12(16)15(11)9-13(3)6-4-5-7-13/h8,10H,4-7,9H2,1-3H3,(H,14,16).
What are the key properties of 3-[(1-methylcyclopentyl)methyl]-4-propan-2-yl-1H-imidazole-2-thione?
3-[(1-methylcyclopentyl)methyl]-4-propan-2-yl-1H-imidazole-2-thione has a molecular weight of 238.40 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylcyclopentyl)methyl]-4-propan-2-yl-1H-imidazole-2-thione is sourced from PubChem (CID 64863186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).