3-(dicyclopropylmethyl)-1H-imidazole-2-thione

C10H14N2S — CID 61482536

IUPAC3-(dicyclopropylmethyl)-1H-imidazole-2-thione
SMILESS=c1[nH]ccn1C(C1CC1)C1CC1
InChIInChI=1S/C10H14N2S/c13-10-11-5-6-12(10)9(7-1-2-7)8-3-4-8/h5-9H,1-4H2,(H,11,13)
InChIKeyWLEGGPXVHMPEII-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.91
Rot. Bonds3

About 3-(dicyclopropylmethyl)-1H-imidazole-2-thione

3-(dicyclopropylmethyl)-1H-imidazole-2-thione (PubChem CID 61482536) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 3-(dicyclopropylmethyl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(dicyclopropylmethyl)-1H-imidazole-2-thione
PubChem CID61482536
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name3-(dicyclopropylmethyl)-1H-imidazole-2-thione
SMILESS=c1[nH]ccn1C(C1CC1)C1CC1
InChIInChI=1S/C10H14N2S/c13-10-11-5-6-12(10)9(7-1-2-7)8-3-4-8/h5-9H,1-4H2,(H,11,13)
InChIKeyWLEGGPXVHMPEII-UHFFFAOYSA-N
XLogP2.91
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(dicyclopropylmethyl)-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

Frequently Asked Questions

What is the IUPAC name of 3-(dicyclopropylmethyl)-1H-imidazole-2-thione?
The IUPAC name of 3-(dicyclopropylmethyl)-1H-imidazole-2-thione (CID 61482536) is 3-(dicyclopropylmethyl)-1H-imidazole-2-thione.
What is the SMILES notation for 3-(dicyclopropylmethyl)-1H-imidazole-2-thione?
The canonical SMILES for 3-(dicyclopropylmethyl)-1H-imidazole-2-thione is S=c1[nH]ccn1C(C1CC1)C1CC1.
What is the InChIKey of 3-(dicyclopropylmethyl)-1H-imidazole-2-thione?
The InChIKey is WLEGGPXVHMPEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c13-10-11-5-6-12(10)9(7-1-2-7)8-3-4-8/h5-9H,1-4H2,(H,11,13).
What are the key properties of 3-(dicyclopropylmethyl)-1H-imidazole-2-thione?
3-(dicyclopropylmethyl)-1H-imidazole-2-thione has a molecular weight of 194.30 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dicyclopropylmethyl)-1H-imidazole-2-thione is sourced from PubChem (CID 61482536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).