1,3-dimethyl-4-pentylimidazole-2-thione

C10H18N2S — CID 22158435

IUPAC1,3-dimethyl-4-pentylimidazole-2-thione
SMILESCCCCCc1cn(C)c(=S)n1C
InChIInChI=1S/C10H18N2S/c1-4-5-6-7-9-8-11(2)10(13)12(9)3/h8H,4-7H2,1-3H3
InChIKeyJPPNOUSCWGNFQR-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.83
Rot. Bonds4

About 1,3-dimethyl-4-pentylimidazole-2-thione

1,3-dimethyl-4-pentylimidazole-2-thione (PubChem CID 22158435) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 1,3-dimethyl-4-pentylimidazole-2-thione.

Molecular Properties

Compound Name1,3-dimethyl-4-pentylimidazole-2-thione
PubChem CID22158435
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name1,3-dimethyl-4-pentylimidazole-2-thione
SMILESCCCCCc1cn(C)c(=S)n1C
InChIInChI=1S/C10H18N2S/c1-4-5-6-7-9-8-11(2)10(13)12(9)3/h8H,4-7H2,1-3H3
InChIKeyJPPNOUSCWGNFQR-UHFFFAOYSA-N
XLogP2.83
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,3-dimethyl-4-pentylimidazole-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-butyl-3-methyl-1H-imidazole-2-thione
CID 23202686
3-hexyl-4-propyl-1H-imidazole-2-thione
CID 23319745
3-hexyl-5-propyl-1H-imidazole-2-thione
CID 23319748
3-methyl-4-octyl-1H-imidazole-2-thione
CID 88435546
3,4-dibutyl-1-propan-2-yl-2H-imidazole
CID 141499001
4-Cyclohexyl-1,3-dimethylimidazole-2-thione
CID 145841748
3-ethyl-1-methyl-4-octyl-2H-imidazole
CID 156280820
4-butyl-1,3-dimethyl-2H-imidazole
CID 174855096
1,3,4-tributyl-2H-imidazole
CID 175020542
4-ethyl-3-hexyl-1H-imidazole-2-thione
CID 81334870
1,3,4-tripentyl-2H-imidazole
CID 175115544
2,5-dibutyl-1-ethyl-1,3-dimethyl-2H-imidazol-1-ium
CID 175307067

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-pentylimidazole-2-thione?
The IUPAC name of 1,3-dimethyl-4-pentylimidazole-2-thione (CID 22158435) is 1,3-dimethyl-4-pentylimidazole-2-thione.
What is the SMILES notation for 1,3-dimethyl-4-pentylimidazole-2-thione?
The canonical SMILES for 1,3-dimethyl-4-pentylimidazole-2-thione is CCCCCc1cn(C)c(=S)n1C.
What is the InChIKey of 1,3-dimethyl-4-pentylimidazole-2-thione?
The InChIKey is JPPNOUSCWGNFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-4-5-6-7-9-8-11(2)10(13)12(9)3/h8H,4-7H2,1-3H3.
What are the key properties of 1,3-dimethyl-4-pentylimidazole-2-thione?
1,3-dimethyl-4-pentylimidazole-2-thione has a molecular weight of 198.33 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-pentylimidazole-2-thione is sourced from PubChem (CID 22158435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).