2-ethylsulfanyl-4,5-diphenyl-1H-imidazole

C17H16N2S — CID 5027193

IUPAC2-ethylsulfanyl-4,5-diphenyl-1H-imidazole
SMILESCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C17H16N2S/c1-2-20-17-18-15(13-9-5-3-6-10-13)16(19-17)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,18,19)
InChIKeyLLMAFVWLNYBLIF-UHFFFAOYSA-N
MW280.40 g/mol
LogP4.86
Rot. Bonds4

About 2-ethylsulfanyl-4,5-diphenyl-1H-imidazole

2-ethylsulfanyl-4,5-diphenyl-1H-imidazole (PubChem CID 5027193) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is 2-ethylsulfanyl-4,5-diphenyl-1H-imidazole.

Molecular Properties

Compound Name2-ethylsulfanyl-4,5-diphenyl-1H-imidazole
PubChem CID5027193
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC Name2-ethylsulfanyl-4,5-diphenyl-1H-imidazole
SMILESCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C17H16N2S/c1-2-20-17-18-15(13-9-5-3-6-10-13)16(19-17)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,18,19)
InChIKeyLLMAFVWLNYBLIF-UHFFFAOYSA-N
XLogP4.86
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-4,5-diphenyl-1H-imidazole?
The IUPAC name of 2-ethylsulfanyl-4,5-diphenyl-1H-imidazole (CID 5027193) is 2-ethylsulfanyl-4,5-diphenyl-1H-imidazole.
What is the SMILES notation for 2-ethylsulfanyl-4,5-diphenyl-1H-imidazole?
The canonical SMILES for 2-ethylsulfanyl-4,5-diphenyl-1H-imidazole is CCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1.
What is the InChIKey of 2-ethylsulfanyl-4,5-diphenyl-1H-imidazole?
The InChIKey is LLMAFVWLNYBLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-2-20-17-18-15(13-9-5-3-6-10-13)16(19-17)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,18,19).
What are the key properties of 2-ethylsulfanyl-4,5-diphenyl-1H-imidazole?
2-ethylsulfanyl-4,5-diphenyl-1H-imidazole has a molecular weight of 280.40 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-4,5-diphenyl-1H-imidazole is sourced from PubChem (CID 5027193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).