3-(1-cyclobutylpropyl)-5-methyl-1H-imidazole-2-thione

C11H18N2S — CID 130752261

IUPAC3-(1-cyclobutylpropyl)-5-methyl-1H-imidazole-2-thione
SMILESCCC(C1CCC1)n1cc(C)[nH]c1=S
InChIInChI=1S/C11H18N2S/c1-3-10(9-5-4-6-9)13-7-8(2)12-11(13)14/h7,9-10H,3-6H2,1-2H3,(H,12,14)
InChIKeyYMTPHIQSLNKQHR-UHFFFAOYSA-N
MW210.35 g/mol
LogP3.61
Rot. Bonds3

About 3-(1-cyclobutylpropyl)-5-methyl-1H-imidazole-2-thione

3-(1-cyclobutylpropyl)-5-methyl-1H-imidazole-2-thione (PubChem CID 130752261) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 3-(1-cyclobutylpropyl)-5-methyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(1-cyclobutylpropyl)-5-methyl-1H-imidazole-2-thione
PubChem CID130752261
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name3-(1-cyclobutylpropyl)-5-methyl-1H-imidazole-2-thione
SMILESCCC(C1CCC1)n1cc(C)[nH]c1=S
InChIInChI=1S/C11H18N2S/c1-3-10(9-5-4-6-9)13-7-8(2)12-11(13)14/h7,9-10H,3-6H2,1-2H3,(H,12,14)
InChIKeyYMTPHIQSLNKQHR-UHFFFAOYSA-N
XLogP3.61
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclobutylpropyl)-5-methyl-1H-imidazole-2-thione?
The IUPAC name of 3-(1-cyclobutylpropyl)-5-methyl-1H-imidazole-2-thione (CID 130752261) is 3-(1-cyclobutylpropyl)-5-methyl-1H-imidazole-2-thione.
What is the SMILES notation for 3-(1-cyclobutylpropyl)-5-methyl-1H-imidazole-2-thione?
The canonical SMILES for 3-(1-cyclobutylpropyl)-5-methyl-1H-imidazole-2-thione is CCC(C1CCC1)n1cc(C)[nH]c1=S.
What is the InChIKey of 3-(1-cyclobutylpropyl)-5-methyl-1H-imidazole-2-thione?
The InChIKey is YMTPHIQSLNKQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-3-10(9-5-4-6-9)13-7-8(2)12-11(13)14/h7,9-10H,3-6H2,1-2H3,(H,12,14).
What are the key properties of 3-(1-cyclobutylpropyl)-5-methyl-1H-imidazole-2-thione?
3-(1-cyclobutylpropyl)-5-methyl-1H-imidazole-2-thione has a molecular weight of 210.35 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclobutylpropyl)-5-methyl-1H-imidazole-2-thione is sourced from PubChem (CID 130752261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).