5-methyl-4-(1-methylsulfanylethyl)-1H-imidazole

C7H12N2S — CID 174272921

IUPAC5-methyl-4-(1-methylsulfanylethyl)-1H-imidazole
SMILESCSC(C)c1nc[nH]c1C
InChIInChI=1S/C7H12N2S/c1-5-7(6(2)10-3)9-4-8-5/h4,6H,1-3H3,(H,8,9)
InChIKeyNFYMLQXZLXKEHN-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.14
Rot. Bonds2

About 5-methyl-4-(1-methylsulfanylethyl)-1H-imidazole

5-methyl-4-(1-methylsulfanylethyl)-1H-imidazole (PubChem CID 174272921) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 5-methyl-4-(1-methylsulfanylethyl)-1H-imidazole.

Molecular Properties

Compound Name5-methyl-4-(1-methylsulfanylethyl)-1H-imidazole
PubChem CID174272921
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name5-methyl-4-(1-methylsulfanylethyl)-1H-imidazole
SMILESCSC(C)c1nc[nH]c1C
InChIInChI=1S/C7H12N2S/c1-5-7(6(2)10-3)9-4-8-5/h4,6H,1-3H3,(H,8,9)
InChIKeyNFYMLQXZLXKEHN-UHFFFAOYSA-N
XLogP2.14
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(1-methylsulfanylethyl)-1H-imidazole?
The IUPAC name of 5-methyl-4-(1-methylsulfanylethyl)-1H-imidazole (CID 174272921) is 5-methyl-4-(1-methylsulfanylethyl)-1H-imidazole.
What is the SMILES notation for 5-methyl-4-(1-methylsulfanylethyl)-1H-imidazole?
The canonical SMILES for 5-methyl-4-(1-methylsulfanylethyl)-1H-imidazole is CSC(C)c1nc[nH]c1C.
What is the InChIKey of 5-methyl-4-(1-methylsulfanylethyl)-1H-imidazole?
The InChIKey is NFYMLQXZLXKEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-5-7(6(2)10-3)9-4-8-5/h4,6H,1-3H3,(H,8,9).
What are the key properties of 5-methyl-4-(1-methylsulfanylethyl)-1H-imidazole?
5-methyl-4-(1-methylsulfanylethyl)-1H-imidazole has a molecular weight of 156.25 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(1-methylsulfanylethyl)-1H-imidazole is sourced from PubChem (CID 174272921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).