5-(3,5-dimethylthiophen-2-yl)-1-ethyl-2-methylimidazole;ethane

C14H22N2S — CID 166546531

IUPAC5-(3,5-dimethylthiophen-2-yl)-1-ethyl-2-methylimidazole;ethane
SMILESCC.CCn1c(-c2sc(C)cc2C)cnc1C
InChIInChI=1S/C12H16N2S.C2H6/c1-5-14-10(4)13-7-11(14)12-8(2)6-9(3)15-12;1-2/h6-7H,5H2,1-4H3;1-2H3
InChIKeyHGNAYBTUNYPIQX-UHFFFAOYSA-N
MW250.41 g/mol
LogP4.58
Rot. Bonds2

About 5-(3,5-dimethylthiophen-2-yl)-1-ethyl-2-methylimidazole;ethane

5-(3,5-dimethylthiophen-2-yl)-1-ethyl-2-methylimidazole;ethane (PubChem CID 166546531) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 5-(3,5-dimethylthiophen-2-yl)-1-ethyl-2-methylimidazole;ethane.

Molecular Properties

Compound Name5-(3,5-dimethylthiophen-2-yl)-1-ethyl-2-methylimidazole;ethane
PubChem CID166546531
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name5-(3,5-dimethylthiophen-2-yl)-1-ethyl-2-methylimidazole;ethane
SMILESCC.CCn1c(-c2sc(C)cc2C)cnc1C
InChIInChI=1S/C12H16N2S.C2H6/c1-5-14-10(4)13-7-11(14)12-8(2)6-9(3)15-12;1-2/h6-7H,5H2,1-4H3;1-2H3
InChIKeyHGNAYBTUNYPIQX-UHFFFAOYSA-N
XLogP4.58
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylthiophen-2-yl)-1-ethyl-2-methylimidazole;ethane?
The IUPAC name of 5-(3,5-dimethylthiophen-2-yl)-1-ethyl-2-methylimidazole;ethane (CID 166546531) is 5-(3,5-dimethylthiophen-2-yl)-1-ethyl-2-methylimidazole;ethane.
What is the SMILES notation for 5-(3,5-dimethylthiophen-2-yl)-1-ethyl-2-methylimidazole;ethane?
The canonical SMILES for 5-(3,5-dimethylthiophen-2-yl)-1-ethyl-2-methylimidazole;ethane is CC.CCn1c(-c2sc(C)cc2C)cnc1C.
What is the InChIKey of 5-(3,5-dimethylthiophen-2-yl)-1-ethyl-2-methylimidazole;ethane?
The InChIKey is HGNAYBTUNYPIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S.C2H6/c1-5-14-10(4)13-7-11(14)12-8(2)6-9(3)15-12;1-2/h6-7H,5H2,1-4H3;1-2H3.
What are the key properties of 5-(3,5-dimethylthiophen-2-yl)-1-ethyl-2-methylimidazole;ethane?
5-(3,5-dimethylthiophen-2-yl)-1-ethyl-2-methylimidazole;ethane has a molecular weight of 250.41 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylthiophen-2-yl)-1-ethyl-2-methylimidazole;ethane is sourced from PubChem (CID 166546531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).