3-[[1-(dimethylamino)cyclopentyl]methyl]-1H-imidazole-2-thione

C11H19N3S — CID 83113447

IUPAC3-[[1-(dimethylamino)cyclopentyl]methyl]-1H-imidazole-2-thione
SMILESCN(C)C1(Cn2cc[nH]c2=S)CCCC1
InChIInChI=1S/C11H19N3S/c1-13(2)11(5-3-4-6-11)9-14-8-7-12-10(14)15/h7-8H,3-6,9H2,1-2H3,(H,12,15)
InChIKeyLXIBWZADIGUJAW-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.42
Rot. Bonds3

About 3-[[1-(dimethylamino)cyclopentyl]methyl]-1H-imidazole-2-thione

3-[[1-(dimethylamino)cyclopentyl]methyl]-1H-imidazole-2-thione (PubChem CID 83113447) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 3-[[1-(dimethylamino)cyclopentyl]methyl]-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-[[1-(dimethylamino)cyclopentyl]methyl]-1H-imidazole-2-thione
PubChem CID83113447
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name3-[[1-(dimethylamino)cyclopentyl]methyl]-1H-imidazole-2-thione
SMILESCN(C)C1(Cn2cc[nH]c2=S)CCCC1
InChIInChI=1S/C11H19N3S/c1-13(2)11(5-3-4-6-11)9-14-8-7-12-10(14)15/h7-8H,3-6,9H2,1-2H3,(H,12,15)
InChIKeyLXIBWZADIGUJAW-UHFFFAOYSA-N
XLogP2.42
TPSA23.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-(cyclopentylmethyl)-1H-imidazole-2-thione
CID 43371190
3-(2-cyclopentylethyl)-1H-imidazole-2-thione
CID 60920502
3-[1-(dimethylamino)-4-methylpentan-2-yl]-1H-imidazole-2-thione
CID 61512339
3-(1-methylcyclohexyl)-1H-imidazole-2-thione
CID 61871395
3-(2-methylcyclopentyl)-1H-imidazole-2-thione
CID 63281731
3-[2-[cyclopentyl(methyl)amino]ethyl]-1H-imidazole-2-thione
CID 63318587
3-[(1-methylcyclopentyl)methyl]-1H-imidazole-2-thione
CID 63829416
3-(5-methylhexan-2-yl)-1H-imidazole-2-thione
CID 63926515
3-(1-cyclopentylethyl)-1H-imidazole-2-thione
CID 64112505
3-(1-methylcyclopentyl)-1H-imidazole-2-thione
CID 64686811
3-(3-ethylpentan-3-yl)-1H-imidazole-2-thione
CID 65038733
3-(4-methylhexan-2-yl)-1H-imidazole-2-thione
CID 65440647

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(dimethylamino)cyclopentyl]methyl]-1H-imidazole-2-thione?
The IUPAC name of 3-[[1-(dimethylamino)cyclopentyl]methyl]-1H-imidazole-2-thione (CID 83113447) is 3-[[1-(dimethylamino)cyclopentyl]methyl]-1H-imidazole-2-thione.
What is the SMILES notation for 3-[[1-(dimethylamino)cyclopentyl]methyl]-1H-imidazole-2-thione?
The canonical SMILES for 3-[[1-(dimethylamino)cyclopentyl]methyl]-1H-imidazole-2-thione is CN(C)C1(Cn2cc[nH]c2=S)CCCC1.
What is the InChIKey of 3-[[1-(dimethylamino)cyclopentyl]methyl]-1H-imidazole-2-thione?
The InChIKey is LXIBWZADIGUJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-13(2)11(5-3-4-6-11)9-14-8-7-12-10(14)15/h7-8H,3-6,9H2,1-2H3,(H,12,15).
What are the key properties of 3-[[1-(dimethylamino)cyclopentyl]methyl]-1H-imidazole-2-thione?
3-[[1-(dimethylamino)cyclopentyl]methyl]-1H-imidazole-2-thione has a molecular weight of 225.36 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(dimethylamino)cyclopentyl]methyl]-1H-imidazole-2-thione is sourced from PubChem (CID 83113447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).