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

C7H14N2OS — CID 142566012

IUPAC2-methyl-5-(2-methylsulfinylethyl)-4,5-dihydro-1H-imidazole
SMILESCC1=NCC(CCS(C)=O)N1
InChIInChI=1S/C7H14N2OS/c1-6-8-5-7(9-6)3-4-11(2)10/h7H,3-5H2,1-2H3,(H,8,9)
InChIKeyGITCEFVYXAHERL-UHFFFAOYSA-N
MW174.27 g/mol
LogP0.15
Rot. Bonds3

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

2-methyl-5-(2-methylsulfinylethyl)-4,5-dihydro-1H-imidazole (PubChem CID 142566012) has the molecular formula C7H14N2OS and a molecular weight of 174.27 g/mol. Its IUPAC name is 2-methyl-5-(2-methylsulfinylethyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-methyl-5-(2-methylsulfinylethyl)-4,5-dihydro-1H-imidazole
PubChem CID142566012
Molecular FormulaC7H14N2OS
Molecular Weight174.27 g/mol
Exact Mass174.08
IUPAC Name2-methyl-5-(2-methylsulfinylethyl)-4,5-dihydro-1H-imidazole
SMILESCC1=NCC(CCS(C)=O)N1
InChIInChI=1S/C7H14N2OS/c1-6-8-5-7(9-6)3-4-11(2)10/h7H,3-5H2,1-2H3,(H,8,9)
InChIKeyGITCEFVYXAHERL-UHFFFAOYSA-N
XLogP0.15
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylsulfinylethyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-methyl-5-(2-methylsulfinylethyl)-4,5-dihydro-1H-imidazole (CID 142566012) is 2-methyl-5-(2-methylsulfinylethyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-methyl-5-(2-methylsulfinylethyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-methyl-5-(2-methylsulfinylethyl)-4,5-dihydro-1H-imidazole is CC1=NCC(CCS(C)=O)N1.
What is the InChIKey of 2-methyl-5-(2-methylsulfinylethyl)-4,5-dihydro-1H-imidazole?
The InChIKey is GITCEFVYXAHERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2OS/c1-6-8-5-7(9-6)3-4-11(2)10/h7H,3-5H2,1-2H3,(H,8,9).
What are the key properties of 2-methyl-5-(2-methylsulfinylethyl)-4,5-dihydro-1H-imidazole?
2-methyl-5-(2-methylsulfinylethyl)-4,5-dihydro-1H-imidazole has a molecular weight of 174.27 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylsulfinylethyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 142566012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).