2-methylsulfanyl-1-pentyl-4,5-dihydroimidazole

C9H18N2S — CID 68979182

IUPAC2-methylsulfanyl-1-pentyl-4,5-dihydroimidazole
SMILESCCCCCN1CCN=C1SC
InChIInChI=1S/C9H18N2S/c1-3-4-5-7-11-8-6-10-9(11)12-2/h3-8H2,1-2H3
InChIKeyJOCCPBKYCMGMNZ-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.21
Rot. Bonds4

About 2-methylsulfanyl-1-pentyl-4,5-dihydroimidazole

2-methylsulfanyl-1-pentyl-4,5-dihydroimidazole (PubChem CID 68979182) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is 2-methylsulfanyl-1-pentyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-methylsulfanyl-1-pentyl-4,5-dihydroimidazole
PubChem CID68979182
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name2-methylsulfanyl-1-pentyl-4,5-dihydroimidazole
SMILESCCCCCN1CCN=C1SC
InChIInChI=1S/C9H18N2S/c1-3-4-5-7-11-8-6-10-9(11)12-2/h3-8H2,1-2H3
InChIKeyJOCCPBKYCMGMNZ-UHFFFAOYSA-N
XLogP2.21
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-methylpiperidine-1-carboximidothioate
CID 13034329
[[Butyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium
CID 87895646
[[Heptyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium
CID 87896406
[[Hexyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium
CID 87896744
methyl N'-cyano-N-pentyl-N-propan-2-ylcarbamimidothioate
CID 80488681
methyl N'-cyano-N-[2-(dimethylamino)ethyl]-N-propylcarbamimidothioate
CID 80488830
methyl N'-cyano-N-methyl-N-(2-pyrrolidin-1-ylethyl)carbamimidothioate
CID 80489016
methyl N-cyano-2-[(dimethylamino)methyl]pyrrolidine-1-carboximidothioate
CID 80489114
methyl N'-cyano-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]carbamimidothioate
CID 80489129
methyl N'-cyano-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcarbamimidothioate
CID 80489166
methyl N,N-dibutyl-N'-cyanocarbamimidothioate
CID 80489572
methyl N-butyl-N'-cyano-N-ethylcarbamimidothioate
CID 80489729

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-1-pentyl-4,5-dihydroimidazole?
The IUPAC name of 2-methylsulfanyl-1-pentyl-4,5-dihydroimidazole (CID 68979182) is 2-methylsulfanyl-1-pentyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-methylsulfanyl-1-pentyl-4,5-dihydroimidazole?
The canonical SMILES for 2-methylsulfanyl-1-pentyl-4,5-dihydroimidazole is CCCCCN1CCN=C1SC.
What is the InChIKey of 2-methylsulfanyl-1-pentyl-4,5-dihydroimidazole?
The InChIKey is JOCCPBKYCMGMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-3-4-5-7-11-8-6-10-9(11)12-2/h3-8H2,1-2H3.
What are the key properties of 2-methylsulfanyl-1-pentyl-4,5-dihydroimidazole?
2-methylsulfanyl-1-pentyl-4,5-dihydroimidazole has a molecular weight of 186.32 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1-pentyl-4,5-dihydroimidazole is sourced from PubChem (CID 68979182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).