3-cycloheptyl-1H-imidazole-2-thione

C10H16N2S — CID 43167784

IUPAC3-cycloheptyl-1H-imidazole-2-thione
SMILESS=c1[nH]ccn1C1CCCCCC1
InChIInChI=1S/C10H16N2S/c13-10-11-7-8-12(10)9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H,11,13)
InChIKeyIQMCVWACXXFQDA-UHFFFAOYSA-N
MW196.32 g/mol
LogP3.44
Rot. Bonds1

About 3-cycloheptyl-1H-imidazole-2-thione

3-cycloheptyl-1H-imidazole-2-thione (PubChem CID 43167784) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 3-cycloheptyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-cycloheptyl-1H-imidazole-2-thione
PubChem CID43167784
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name3-cycloheptyl-1H-imidazole-2-thione
SMILESS=c1[nH]ccn1C1CCCCCC1
InChIInChI=1S/C10H16N2S/c13-10-11-7-8-12(10)9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H,11,13)
InChIKeyIQMCVWACXXFQDA-UHFFFAOYSA-N
XLogP3.44
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-cycloheptyl-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

1-Cyclohexyl-1,3-dihydro-2H-imidazole-2-thione
CID 3035127
1-Decyl-3H-imidazole-2-thione
CID 5244461
3-dodecyl-1H-imidazole-2-thione
CID 11277202
3-nonyl-1H-imidazole-2-thione
CID 12555592
1-hexyl-1,3-dihydro-2H-imidazole-2-thione
CID 64183878
1-cyclopentyl-1H-imidazole-2-thiol
CID 29062795
1-Octyl-1,3-dihydro-2H-imidazole-2-thione
CID 71371319
3-heptan-2-yl-1H-imidazole-2-thione
CID 61467453
3-(6-methylheptan-2-yl)-1H-imidazole-2-thione
CID 61472533
3-octan-2-yl-1H-imidazole-2-thione
CID 61480435
3-hexan-3-yl-1H-imidazole-2-thione
CID 62119884
3-hexan-2-yl-1H-imidazole-2-thione
CID 62201185

Frequently Asked Questions

What is the IUPAC name of 3-cycloheptyl-1H-imidazole-2-thione?
The IUPAC name of 3-cycloheptyl-1H-imidazole-2-thione (CID 43167784) is 3-cycloheptyl-1H-imidazole-2-thione.
What is the SMILES notation for 3-cycloheptyl-1H-imidazole-2-thione?
The canonical SMILES for 3-cycloheptyl-1H-imidazole-2-thione is S=c1[nH]ccn1C1CCCCCC1.
What is the InChIKey of 3-cycloheptyl-1H-imidazole-2-thione?
The InChIKey is IQMCVWACXXFQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c13-10-11-7-8-12(10)9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H,11,13).
What are the key properties of 3-cycloheptyl-1H-imidazole-2-thione?
3-cycloheptyl-1H-imidazole-2-thione has a molecular weight of 196.32 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptyl-1H-imidazole-2-thione is sourced from PubChem (CID 43167784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).