2-(2,2-dimethoxyethylsulfanyl)-4,5-diphenyl-1H-imidazole

C19H20N2O2S — CID 10315214

IUPAC2-(2,2-dimethoxyethylsulfanyl)-4,5-diphenyl-1H-imidazole
SMILESCOC(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)OC
InChIInChI=1S/C19H20N2O2S/c1-22-16(23-2)13-24-19-20-17(14-9-5-3-6-10-14)18(21-19)15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3,(H,20,21)
InChIKeyNSOCIUPKPBYNCH-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.45
Rot. Bonds7

About 2-(2,2-dimethoxyethylsulfanyl)-4,5-diphenyl-1H-imidazole

2-(2,2-dimethoxyethylsulfanyl)-4,5-diphenyl-1H-imidazole (PubChem CID 10315214) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-(2,2-dimethoxyethylsulfanyl)-4,5-diphenyl-1H-imidazole.

Molecular Properties

Compound Name2-(2,2-dimethoxyethylsulfanyl)-4,5-diphenyl-1H-imidazole
PubChem CID10315214
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name2-(2,2-dimethoxyethylsulfanyl)-4,5-diphenyl-1H-imidazole
SMILESCOC(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)OC
InChIInChI=1S/C19H20N2O2S/c1-22-16(23-2)13-24-19-20-17(14-9-5-3-6-10-14)18(21-19)15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3,(H,20,21)
InChIKeyNSOCIUPKPBYNCH-UHFFFAOYSA-N
XLogP4.45
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethoxyethylsulfanyl)-4,5-diphenyl-1H-imidazole?
The IUPAC name of 2-(2,2-dimethoxyethylsulfanyl)-4,5-diphenyl-1H-imidazole (CID 10315214) is 2-(2,2-dimethoxyethylsulfanyl)-4,5-diphenyl-1H-imidazole.
What is the SMILES notation for 2-(2,2-dimethoxyethylsulfanyl)-4,5-diphenyl-1H-imidazole?
The canonical SMILES for 2-(2,2-dimethoxyethylsulfanyl)-4,5-diphenyl-1H-imidazole is COC(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)OC.
What is the InChIKey of 2-(2,2-dimethoxyethylsulfanyl)-4,5-diphenyl-1H-imidazole?
The InChIKey is NSOCIUPKPBYNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-22-16(23-2)13-24-19-20-17(14-9-5-3-6-10-14)18(21-19)15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3,(H,20,21).
What are the key properties of 2-(2,2-dimethoxyethylsulfanyl)-4,5-diphenyl-1H-imidazole?
2-(2,2-dimethoxyethylsulfanyl)-4,5-diphenyl-1H-imidazole has a molecular weight of 340.45 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethoxyethylsulfanyl)-4,5-diphenyl-1H-imidazole is sourced from PubChem (CID 10315214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).