4-methyl-1-(4-methyl-1-benzothiophen-7-yl)imidazole

C13H12N2S — CID 67678831

IUPAC4-methyl-1-(4-methyl-1-benzothiophen-7-yl)imidazole
SMILESCc1cn(-c2ccc(C)c3ccsc23)cn1
InChIInChI=1S/C13H12N2S/c1-9-3-4-12(13-11(9)5-6-16-13)15-7-10(2)14-8-15/h3-8H,1-2H3
InChIKeyJKACHQOPFBFMIM-UHFFFAOYSA-N
MW228.32 g/mol
LogP3.70
Rot. Bonds1

About 4-methyl-1-(4-methyl-1-benzothiophen-7-yl)imidazole

4-methyl-1-(4-methyl-1-benzothiophen-7-yl)imidazole (PubChem CID 67678831) has the molecular formula C13H12N2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-methyl-1-(4-methyl-1-benzothiophen-7-yl)imidazole.

Molecular Properties

Compound Name4-methyl-1-(4-methyl-1-benzothiophen-7-yl)imidazole
PubChem CID67678831
Molecular FormulaC13H12N2S
Molecular Weight228.32 g/mol
Exact Mass228.07
IUPAC Name4-methyl-1-(4-methyl-1-benzothiophen-7-yl)imidazole
SMILESCc1cn(-c2ccc(C)c3ccsc23)cn1
InChIInChI=1S/C13H12N2S/c1-9-3-4-12(13-11(9)5-6-16-13)15-7-10(2)14-8-15/h3-8H,1-2H3
InChIKeyJKACHQOPFBFMIM-UHFFFAOYSA-N
XLogP3.70
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-methyl-1-benzothiophen-7-yl)imidazole?
The IUPAC name of 4-methyl-1-(4-methyl-1-benzothiophen-7-yl)imidazole (CID 67678831) is 4-methyl-1-(4-methyl-1-benzothiophen-7-yl)imidazole.
What is the SMILES notation for 4-methyl-1-(4-methyl-1-benzothiophen-7-yl)imidazole?
The canonical SMILES for 4-methyl-1-(4-methyl-1-benzothiophen-7-yl)imidazole is Cc1cn(-c2ccc(C)c3ccsc23)cn1.
What is the InChIKey of 4-methyl-1-(4-methyl-1-benzothiophen-7-yl)imidazole?
The InChIKey is JKACHQOPFBFMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S/c1-9-3-4-12(13-11(9)5-6-16-13)15-7-10(2)14-8-15/h3-8H,1-2H3.
What are the key properties of 4-methyl-1-(4-methyl-1-benzothiophen-7-yl)imidazole?
4-methyl-1-(4-methyl-1-benzothiophen-7-yl)imidazole has a molecular weight of 228.32 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-methyl-1-benzothiophen-7-yl)imidazole is sourced from PubChem (CID 67678831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).