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

C7H14N2S — CID 14150583

IUPAC2-(ethylsulfanylmethyl)-5-methyl-4,5-dihydro-1H-imidazole
SMILESCCSCC1=NCC(C)N1
InChIInChI=1S/C7H14N2S/c1-3-10-5-7-8-4-6(2)9-7/h6H,3-5H2,1-2H3,(H,8,9)
InChIKeySBNZMUBOQXXJJX-UHFFFAOYSA-N
MW158.27 g/mol
LogP1.13
Rot. Bonds3

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

2-(ethylsulfanylmethyl)-5-methyl-4,5-dihydro-1H-imidazole (PubChem CID 14150583) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is 2-(ethylsulfanylmethyl)-5-methyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(ethylsulfanylmethyl)-5-methyl-4,5-dihydro-1H-imidazole
PubChem CID14150583
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC Name2-(ethylsulfanylmethyl)-5-methyl-4,5-dihydro-1H-imidazole
SMILESCCSCC1=NCC(C)N1
InChIInChI=1S/C7H14N2S/c1-3-10-5-7-8-4-6(2)9-7/h6H,3-5H2,1-2H3,(H,8,9)
InChIKeySBNZMUBOQXXJJX-UHFFFAOYSA-N
XLogP1.13
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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 2-(ethylsulfanylmethyl)-5-methyl-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(ethylsulfanylmethyl)-5-methyl-4,5-dihydro-1H-imidazole (CID 14150583) is 2-(ethylsulfanylmethyl)-5-methyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(ethylsulfanylmethyl)-5-methyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(ethylsulfanylmethyl)-5-methyl-4,5-dihydro-1H-imidazole is CCSCC1=NCC(C)N1.
What is the InChIKey of 2-(ethylsulfanylmethyl)-5-methyl-4,5-dihydro-1H-imidazole?
The InChIKey is SBNZMUBOQXXJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S/c1-3-10-5-7-8-4-6(2)9-7/h6H,3-5H2,1-2H3,(H,8,9).
What are the key properties of 2-(ethylsulfanylmethyl)-5-methyl-4,5-dihydro-1H-imidazole?
2-(ethylsulfanylmethyl)-5-methyl-4,5-dihydro-1H-imidazole has a molecular weight of 158.27 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfanylmethyl)-5-methyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 14150583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).