5-(2-ethylsulfanylphenyl)-2-thiophen-3-yl-1H-imidazole

C15H14N2S2 — CID 90643461

IUPAC5-(2-ethylsulfanylphenyl)-2-thiophen-3-yl-1H-imidazole
SMILESCCSc1ccccc1-c1cnc(-c2ccsc2)[nH]1
InChIInChI=1S/C15H14N2S2/c1-2-19-14-6-4-3-5-12(14)13-9-16-15(17-13)11-7-8-18-10-11/h3-10H,2H2,1H3,(H,16,17)
InChIKeyUXJIHPBKIQGEND-UHFFFAOYSA-N
MW286.43 g/mol
LogP4.92
Rot. Bonds4

About 5-(2-ethylsulfanylphenyl)-2-thiophen-3-yl-1H-imidazole

5-(2-ethylsulfanylphenyl)-2-thiophen-3-yl-1H-imidazole (PubChem CID 90643461) has the molecular formula C15H14N2S2 and a molecular weight of 286.43 g/mol. Its IUPAC name is 5-(2-ethylsulfanylphenyl)-2-thiophen-3-yl-1H-imidazole.

Molecular Properties

Compound Name5-(2-ethylsulfanylphenyl)-2-thiophen-3-yl-1H-imidazole
PubChem CID90643461
Molecular FormulaC15H14N2S2
Molecular Weight286.43 g/mol
Exact Mass286.06
IUPAC Name5-(2-ethylsulfanylphenyl)-2-thiophen-3-yl-1H-imidazole
SMILESCCSc1ccccc1-c1cnc(-c2ccsc2)[nH]1
InChIInChI=1S/C15H14N2S2/c1-2-19-14-6-4-3-5-12(14)13-9-16-15(17-13)11-7-8-18-10-11/h3-10H,2H2,1H3,(H,16,17)
InChIKeyUXJIHPBKIQGEND-UHFFFAOYSA-N
XLogP4.92
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.43
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylsulfanylphenyl)-2-thiophen-3-yl-1H-imidazole?
The IUPAC name of 5-(2-ethylsulfanylphenyl)-2-thiophen-3-yl-1H-imidazole (CID 90643461) is 5-(2-ethylsulfanylphenyl)-2-thiophen-3-yl-1H-imidazole.
What is the SMILES notation for 5-(2-ethylsulfanylphenyl)-2-thiophen-3-yl-1H-imidazole?
The canonical SMILES for 5-(2-ethylsulfanylphenyl)-2-thiophen-3-yl-1H-imidazole is CCSc1ccccc1-c1cnc(-c2ccsc2)[nH]1.
What is the InChIKey of 5-(2-ethylsulfanylphenyl)-2-thiophen-3-yl-1H-imidazole?
The InChIKey is UXJIHPBKIQGEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S2/c1-2-19-14-6-4-3-5-12(14)13-9-16-15(17-13)11-7-8-18-10-11/h3-10H,2H2,1H3,(H,16,17).
What are the key properties of 5-(2-ethylsulfanylphenyl)-2-thiophen-3-yl-1H-imidazole?
5-(2-ethylsulfanylphenyl)-2-thiophen-3-yl-1H-imidazole has a molecular weight of 286.43 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylsulfanylphenyl)-2-thiophen-3-yl-1H-imidazole is sourced from PubChem (CID 90643461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).