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

C10H16N2S — CID 63829416

IUPAC3-[(1-methylcyclopentyl)methyl]-1H-imidazole-2-thione
SMILESCC1(Cn2cc[nH]c2=S)CCCC1
InChIInChI=1S/C10H16N2S/c1-10(4-2-3-5-10)8-12-7-6-11-9(12)13/h6-7H,2-5,8H2,1H3,(H,11,13)
InChIKeyNOJBVKHZCVSEIJ-UHFFFAOYSA-N
MW196.32 g/mol
LogP3.13
Rot. Bonds2

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

3-[(1-methylcyclopentyl)methyl]-1H-imidazole-2-thione (PubChem CID 63829416) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 3-[(1-methylcyclopentyl)methyl]-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-[(1-methylcyclopentyl)methyl]-1H-imidazole-2-thione
PubChem CID63829416
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name3-[(1-methylcyclopentyl)methyl]-1H-imidazole-2-thione
SMILESCC1(Cn2cc[nH]c2=S)CCCC1
InChIInChI=1S/C10H16N2S/c1-10(4-2-3-5-10)8-12-7-6-11-9(12)13/h6-7H,2-5,8H2,1H3,(H,11,13)
InChIKeyNOJBVKHZCVSEIJ-UHFFFAOYSA-N
XLogP3.13
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(1-methylcyclopentyl)methyl]-1H-imidazole-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(cyclopentylmethyl)-1H-imidazole-2-thione
CID 43371190
3-(2-cyclopentylethyl)-1H-imidazole-2-thione
CID 60920502
3-(2,4,4-trimethylpentan-2-yl)-1H-imidazole-2-thione
CID 61667382
3-(4-methylpentyl)-1H-imidazole-2-thione
CID 63003167
3-(2-methylcyclopentyl)-1H-imidazole-2-thione
CID 63281731
3-(5-methylhexan-2-yl)-1H-imidazole-2-thione
CID 63926515
3-(1-cyclopentylethyl)-1H-imidazole-2-thione
CID 64112505
3-(4,4-dimethylcyclohexyl)-1H-imidazole-2-thione
CID 64395281
3-(1-methylcyclopentyl)-1H-imidazole-2-thione
CID 64686811
3-[(1-methylcyclopentyl)methyl]-4-propan-2-yl-1H-imidazole-2-thione
CID 64863186
3-(4-methylhexan-2-yl)-1H-imidazole-2-thione
CID 65440647
3-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-imidazole-2-thione
CID 79362331

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylcyclopentyl)methyl]-1H-imidazole-2-thione?
The IUPAC name of 3-[(1-methylcyclopentyl)methyl]-1H-imidazole-2-thione (CID 63829416) is 3-[(1-methylcyclopentyl)methyl]-1H-imidazole-2-thione.
What is the SMILES notation for 3-[(1-methylcyclopentyl)methyl]-1H-imidazole-2-thione?
The canonical SMILES for 3-[(1-methylcyclopentyl)methyl]-1H-imidazole-2-thione is CC1(Cn2cc[nH]c2=S)CCCC1.
What is the InChIKey of 3-[(1-methylcyclopentyl)methyl]-1H-imidazole-2-thione?
The InChIKey is NOJBVKHZCVSEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-10(4-2-3-5-10)8-12-7-6-11-9(12)13/h6-7H,2-5,8H2,1H3,(H,11,13).
What are the key properties of 3-[(1-methylcyclopentyl)methyl]-1H-imidazole-2-thione?
3-[(1-methylcyclopentyl)methyl]-1H-imidazole-2-thione has a molecular weight of 196.32 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylcyclopentyl)methyl]-1H-imidazole-2-thione is sourced from PubChem (CID 63829416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).