4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazole

C15H16N2S2 — CID 66704196

IUPAC4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazole
SMILESCc1cc(-c2nc[nH]c2-c2cc(C)sc2C)c(C)s1
InChIInChI=1S/C15H16N2S2/c1-8-5-12(10(3)18-8)14-15(17-7-16-14)13-6-9(2)19-11(13)4/h5-7H,1-4H3,(H,16,17)
InChIKeyCUUOZGCAYQLEJS-UHFFFAOYSA-N
MW288.44 g/mol
LogP5.10
Rot. Bonds2

About 4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazole

4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazole (PubChem CID 66704196) has the molecular formula C15H16N2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazole.

Molecular Properties

Compound Name4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazole
PubChem CID66704196
Molecular FormulaC15H16N2S2
Molecular Weight288.44 g/mol
Exact Mass288.08
IUPAC Name4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazole
SMILESCc1cc(-c2nc[nH]c2-c2cc(C)sc2C)c(C)s1
InChIInChI=1S/C15H16N2S2/c1-8-5-12(10(3)18-8)14-15(17-7-16-14)13-6-9(2)19-11(13)4/h5-7H,1-4H3,(H,16,17)
InChIKeyCUUOZGCAYQLEJS-UHFFFAOYSA-N
XLogP5.10
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.44
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4,5-Bis(thiophen-2-YL)-1H-imidazol-2-YL]-N,N-dimethylaniline
CID 10247401
5-(1~{H}-imidazol-5-yl)-4-phenyl-thiophene-2-carboximidamide
CID 146170563
5-(2-ethylsulfanylphenyl)-2-thiophen-3-yl-1H-imidazole
CID 90643461
4-phenyl-2-(3-thienyl)-1H-imidazole
CID 20277973
2-(3-methyl-2-thienyl)-4,5-diphenyl-1H-imidazole
CID 685908
2-(4-Fluorophenyl)-4,5-bis(thiophen-2-YL)-1H-imidazole
CID 802003
2-(4-Methylphenyl)-4,5-bis(thiophen-2-YL)-1H-imidazole
CID 16013933
2-(2-Fluorophenyl)-4,5-bis(thiophen-2-YL)-1H-imidazole
CID 15998611
2-phenyl-5-thiophen-3-yl-1H-imidazole
CID 13664775
5-phenyl-2-thiophen-2-yl-1H-imidazole
CID 59345266
2-(2-methylsulfanylethylsulfanyl)-4,5-dithiophen-2-yl-1H-imidazole
CID 16278909
Dithienylimidazol
CID 20277962

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazole?
The IUPAC name of 4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazole (CID 66704196) is 4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazole.
What is the SMILES notation for 4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazole?
The canonical SMILES for 4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazole is Cc1cc(-c2nc[nH]c2-c2cc(C)sc2C)c(C)s1.
What is the InChIKey of 4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazole?
The InChIKey is CUUOZGCAYQLEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S2/c1-8-5-12(10(3)18-8)14-15(17-7-16-14)13-6-9(2)19-11(13)4/h5-7H,1-4H3,(H,16,17).
What are the key properties of 4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazole?
4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazole has a molecular weight of 288.44 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazole is sourced from PubChem (CID 66704196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).