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

C21H24N2O2S — CID 10021960

IUPAC2-(2,2-diethoxyethylsulfanyl)-4,5-diphenyl-1H-imidazole
SMILESCCOC(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)OCC
InChIInChI=1S/C21H24N2O2S/c1-3-24-18(25-4-2)15-26-21-22-19(16-11-7-5-8-12-16)20(23-21)17-13-9-6-10-14-17/h5-14,18H,3-4,15H2,1-2H3,(H,22,23)
InChIKeyZVFAJJUAHFGWJE-UHFFFAOYSA-N
MW368.50 g/mol
LogP5.23
Rot. Bonds9

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

2-(2,2-diethoxyethylsulfanyl)-4,5-diphenyl-1H-imidazole (PubChem CID 10021960) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is 2-(2,2-diethoxyethylsulfanyl)-4,5-diphenyl-1H-imidazole.

Molecular Properties

Compound Name2-(2,2-diethoxyethylsulfanyl)-4,5-diphenyl-1H-imidazole
PubChem CID10021960
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name2-(2,2-diethoxyethylsulfanyl)-4,5-diphenyl-1H-imidazole
SMILESCCOC(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)OCC
InChIInChI=1S/C21H24N2O2S/c1-3-24-18(25-4-2)15-26-21-22-19(16-11-7-5-8-12-16)20(23-21)17-13-9-6-10-14-17/h5-14,18H,3-4,15H2,1-2H3,(H,22,23)
InChIKeyZVFAJJUAHFGWJE-UHFFFAOYSA-N
XLogP5.23
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.50
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,2-diethoxyethylsulfanyl)-4,5-diphenyl-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diethoxyethylsulfanyl)-4,5-diphenyl-1H-imidazole?
The IUPAC name of 2-(2,2-diethoxyethylsulfanyl)-4,5-diphenyl-1H-imidazole (CID 10021960) is 2-(2,2-diethoxyethylsulfanyl)-4,5-diphenyl-1H-imidazole.
What is the SMILES notation for 2-(2,2-diethoxyethylsulfanyl)-4,5-diphenyl-1H-imidazole?
The canonical SMILES for 2-(2,2-diethoxyethylsulfanyl)-4,5-diphenyl-1H-imidazole is CCOC(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)OCC.
What is the InChIKey of 2-(2,2-diethoxyethylsulfanyl)-4,5-diphenyl-1H-imidazole?
The InChIKey is ZVFAJJUAHFGWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-3-24-18(25-4-2)15-26-21-22-19(16-11-7-5-8-12-16)20(23-21)17-13-9-6-10-14-17/h5-14,18H,3-4,15H2,1-2H3,(H,22,23).
What are the key properties of 2-(2,2-diethoxyethylsulfanyl)-4,5-diphenyl-1H-imidazole?
2-(2,2-diethoxyethylsulfanyl)-4,5-diphenyl-1H-imidazole has a molecular weight of 368.50 g/mol, XLogP of 5.23, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diethoxyethylsulfanyl)-4,5-diphenyl-1H-imidazole is sourced from PubChem (CID 10021960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).