5-methyl-2-(propylsulfanylmethyl)-4,5-dihydro-1H-imidazole

C8H16N2S — CID 14150584

IUPAC5-methyl-2-(propylsulfanylmethyl)-4,5-dihydro-1H-imidazole
SMILESCCCSCC1=NCC(C)N1
InChIInChI=1S/C8H16N2S/c1-3-4-11-6-8-9-5-7(2)10-8/h7H,3-6H2,1-2H3,(H,9,10)
InChIKeyIZCVXPMJLMOFLF-UHFFFAOYSA-N
MW172.30 g/mol
LogP1.52
Rot. Bonds4

About 5-methyl-2-(propylsulfanylmethyl)-4,5-dihydro-1H-imidazole

5-methyl-2-(propylsulfanylmethyl)-4,5-dihydro-1H-imidazole (PubChem CID 14150584) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is 5-methyl-2-(propylsulfanylmethyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name5-methyl-2-(propylsulfanylmethyl)-4,5-dihydro-1H-imidazole
PubChem CID14150584
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name5-methyl-2-(propylsulfanylmethyl)-4,5-dihydro-1H-imidazole
SMILESCCCSCC1=NCC(C)N1
InChIInChI=1S/C8H16N2S/c1-3-4-11-6-8-9-5-7(2)10-8/h7H,3-6H2,1-2H3,(H,9,10)
InChIKeyIZCVXPMJLMOFLF-UHFFFAOYSA-N
XLogP1.52
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-methyl-2-(propylsulfanylmethyl)-4,5-dihydro-1H-imidazole 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 5-methyl-2-(propylsulfanylmethyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 5-methyl-2-(propylsulfanylmethyl)-4,5-dihydro-1H-imidazole (CID 14150584) is 5-methyl-2-(propylsulfanylmethyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 5-methyl-2-(propylsulfanylmethyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 5-methyl-2-(propylsulfanylmethyl)-4,5-dihydro-1H-imidazole is CCCSCC1=NCC(C)N1.
What is the InChIKey of 5-methyl-2-(propylsulfanylmethyl)-4,5-dihydro-1H-imidazole?
The InChIKey is IZCVXPMJLMOFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c1-3-4-11-6-8-9-5-7(2)10-8/h7H,3-6H2,1-2H3,(H,9,10).
What are the key properties of 5-methyl-2-(propylsulfanylmethyl)-4,5-dihydro-1H-imidazole?
5-methyl-2-(propylsulfanylmethyl)-4,5-dihydro-1H-imidazole has a molecular weight of 172.30 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(propylsulfanylmethyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 14150584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).