4-[(2-methylcyclopentyl)methyl]-1,3-dihydroimidazole-2-thione

C10H16N2S — CID 88917736

IUPAC4-[(2-methylcyclopentyl)methyl]-1,3-dihydroimidazole-2-thione
SMILESCC1CCCC1Cc1c[nH]c(=S)[nH]1
InChIInChI=1S/C10H16N2S/c1-7-3-2-4-8(7)5-9-6-11-10(13)12-9/h6-8H,2-5H2,1H3,(H2,11,12,13)
InChIKeyIJHGIORCNUTAJJ-UHFFFAOYSA-N
MW196.32 g/mol
LogP3.05
Rot. Bonds2

About 4-[(2-methylcyclopentyl)methyl]-1,3-dihydroimidazole-2-thione

4-[(2-methylcyclopentyl)methyl]-1,3-dihydroimidazole-2-thione (PubChem CID 88917736) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 4-[(2-methylcyclopentyl)methyl]-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-[(2-methylcyclopentyl)methyl]-1,3-dihydroimidazole-2-thione
PubChem CID88917736
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name4-[(2-methylcyclopentyl)methyl]-1,3-dihydroimidazole-2-thione
SMILESCC1CCCC1Cc1c[nH]c(=S)[nH]1
InChIInChI=1S/C10H16N2S/c1-7-3-2-4-8(7)5-9-6-11-10(13)12-9/h6-8H,2-5H2,1H3,(H2,11,12,13)
InChIKeyIJHGIORCNUTAJJ-UHFFFAOYSA-N
XLogP3.05
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-Methylcyclopent-2-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione
CID 11506623
2H-Imidazole-2-thione, 4-[(2-ethyl-2-cyclohexen-1-YL)methyl]-1,3-dihydro-
CID 11572105
2H-Imidazole-2-thione, 4-[(3-ethyl-2-cyclopenten-1-YL)methyl]-1,3-dihydro-
CID 11637074
4-(3-Cyclohexylpropyl)-1,3-dihydroimidazole-2-thione
CID 15712812
4-Cyclohexyl-1,3-dihydroimidazole-2-thione
CID 20361654
4-[(3,4-Dimethylcyclohex-3-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione
CID 21986051
4-(1-Cyclopent-2-en-1-ylbut-3-enyl)-1,3-dihydroimidazole-2-thione
CID 21986085
4-[(3-Ethyl-4-methylcyclohex-3-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione
CID 21986182
4-[[2-(2-Methylpropyl)cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione
CID 21986209
4-(1,3a,4,5,6,6a-Hexahydropentalen-1-ylmethyl)-1,3-dihydroimidazole-2-thione
CID 58669014
4-(2-methyl-4-propan-2-ylheptyl)-2,3-dihydro-1H-imidazole
CID 66660670
4-[(4-Methylidenecyclohexyl)methyl]-1,3-dihydroimidazole-2-thione
CID 70670394

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylcyclopentyl)methyl]-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-[(2-methylcyclopentyl)methyl]-1,3-dihydroimidazole-2-thione (CID 88917736) is 4-[(2-methylcyclopentyl)methyl]-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-[(2-methylcyclopentyl)methyl]-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-[(2-methylcyclopentyl)methyl]-1,3-dihydroimidazole-2-thione is CC1CCCC1Cc1c[nH]c(=S)[nH]1.
What is the InChIKey of 4-[(2-methylcyclopentyl)methyl]-1,3-dihydroimidazole-2-thione?
The InChIKey is IJHGIORCNUTAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-7-3-2-4-8(7)5-9-6-11-10(13)12-9/h6-8H,2-5H2,1H3,(H2,11,12,13).
What are the key properties of 4-[(2-methylcyclopentyl)methyl]-1,3-dihydroimidazole-2-thione?
4-[(2-methylcyclopentyl)methyl]-1,3-dihydroimidazole-2-thione has a molecular weight of 196.32 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylcyclopentyl)methyl]-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 88917736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).