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

C14H24N2S — CID 64914244

IUPAC3-(3-ethyl-2-methylcyclopentyl)-4-propan-2-yl-1H-imidazole-2-thione
SMILESCCC1CCC(n2c(C(C)C)c[nH]c2=S)C1C
InChIInChI=1S/C14H24N2S/c1-5-11-6-7-12(10(11)4)16-13(9(2)3)8-15-14(16)17/h8-12H,5-7H2,1-4H3,(H,15,17)
InChIKeyGVANEYCRJABQDN-UHFFFAOYSA-N
MW252.43 g/mol
LogP4.67
Rot. Bonds3

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

3-(3-ethyl-2-methylcyclopentyl)-4-propan-2-yl-1H-imidazole-2-thione (PubChem CID 64914244) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 3-(3-ethyl-2-methylcyclopentyl)-4-propan-2-yl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(3-ethyl-2-methylcyclopentyl)-4-propan-2-yl-1H-imidazole-2-thione
PubChem CID64914244
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name3-(3-ethyl-2-methylcyclopentyl)-4-propan-2-yl-1H-imidazole-2-thione
SMILESCCC1CCC(n2c(C(C)C)c[nH]c2=S)C1C
InChIInChI=1S/C14H24N2S/c1-5-11-6-7-12(10(11)4)16-13(9(2)3)8-15-14(16)17/h8-12H,5-7H2,1-4H3,(H,15,17)
InChIKeyGVANEYCRJABQDN-UHFFFAOYSA-N
XLogP4.67
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(3-ethyl-2-methylcyclopentyl)-4-propan-2-yl-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

4-[(2-Methylcyclopentyl)methyl]-1,3-dihydroimidazole-2-thione
CID 88917736
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-(4-ethylcyclohexyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64862980
3-(4-methylcyclohexyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64863166
3-(6-methylheptan-2-yl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64863176
3-[(1-methylcyclopentyl)methyl]-4-propan-2-yl-1H-imidazole-2-thione
CID 64863186
3-octan-2-yl-4-propan-2-yl-1H-imidazole-2-thione
CID 64863745
3-[(2-methylcyclohexyl)methyl]-4-propan-2-yl-1H-imidazole-2-thione
CID 64863746
3-(5-methylhexan-2-yl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64863756
3-(1-cyclopropylbutan-2-yl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64863951
3-(1-cyclopentylethyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64863953

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-2-methylcyclopentyl)-4-propan-2-yl-1H-imidazole-2-thione?
The IUPAC name of 3-(3-ethyl-2-methylcyclopentyl)-4-propan-2-yl-1H-imidazole-2-thione (CID 64914244) is 3-(3-ethyl-2-methylcyclopentyl)-4-propan-2-yl-1H-imidazole-2-thione.
What is the SMILES notation for 3-(3-ethyl-2-methylcyclopentyl)-4-propan-2-yl-1H-imidazole-2-thione?
The canonical SMILES for 3-(3-ethyl-2-methylcyclopentyl)-4-propan-2-yl-1H-imidazole-2-thione is CCC1CCC(n2c(C(C)C)c[nH]c2=S)C1C.
What is the InChIKey of 3-(3-ethyl-2-methylcyclopentyl)-4-propan-2-yl-1H-imidazole-2-thione?
The InChIKey is GVANEYCRJABQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-5-11-6-7-12(10(11)4)16-13(9(2)3)8-15-14(16)17/h8-12H,5-7H2,1-4H3,(H,15,17).
What are the key properties of 3-(3-ethyl-2-methylcyclopentyl)-4-propan-2-yl-1H-imidazole-2-thione?
3-(3-ethyl-2-methylcyclopentyl)-4-propan-2-yl-1H-imidazole-2-thione has a molecular weight of 252.43 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-2-methylcyclopentyl)-4-propan-2-yl-1H-imidazole-2-thione is sourced from PubChem (CID 64914244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).