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

C7H14N2S — CID 91108953

IUPAC5-methyl-2-(1-methylsulfanylethyl)-4,5-dihydro-1H-imidazole
SMILESCSC(C)C1=NCC(C)N1
InChIInChI=1S/C7H14N2S/c1-5-4-8-7(9-5)6(2)10-3/h5-6H,4H2,1-3H3,(H,8,9)
InChIKeyOTZISDNDGCVVEO-UHFFFAOYSA-N
MW158.27 g/mol
LogP1.13
Rot. Bonds2

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

5-methyl-2-(1-methylsulfanylethyl)-4,5-dihydro-1H-imidazole (PubChem CID 91108953) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is 5-methyl-2-(1-methylsulfanylethyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name5-methyl-2-(1-methylsulfanylethyl)-4,5-dihydro-1H-imidazole
PubChem CID91108953
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC Name5-methyl-2-(1-methylsulfanylethyl)-4,5-dihydro-1H-imidazole
SMILESCSC(C)C1=NCC(C)N1
InChIInChI=1S/C7H14N2S/c1-5-4-8-7(9-5)6(2)10-3/h5-6H,4H2,1-3H3,(H,8,9)
InChIKeyOTZISDNDGCVVEO-UHFFFAOYSA-N
XLogP1.13
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1-methylsulfanylethyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 5-methyl-2-(1-methylsulfanylethyl)-4,5-dihydro-1H-imidazole (CID 91108953) is 5-methyl-2-(1-methylsulfanylethyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 5-methyl-2-(1-methylsulfanylethyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 5-methyl-2-(1-methylsulfanylethyl)-4,5-dihydro-1H-imidazole is CSC(C)C1=NCC(C)N1.
What is the InChIKey of 5-methyl-2-(1-methylsulfanylethyl)-4,5-dihydro-1H-imidazole?
The InChIKey is OTZISDNDGCVVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S/c1-5-4-8-7(9-5)6(2)10-3/h5-6H,4H2,1-3H3,(H,8,9).
What are the key properties of 5-methyl-2-(1-methylsulfanylethyl)-4,5-dihydro-1H-imidazole?
5-methyl-2-(1-methylsulfanylethyl)-4,5-dihydro-1H-imidazole has a molecular weight of 158.27 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1-methylsulfanylethyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 91108953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).