2-(oxiran-2-ylmethylsulfanyl)-4,5-diphenyl-1H-imidazole

C18H16N2OS — CID 102517221

IUPAC2-(oxiran-2-ylmethylsulfanyl)-4,5-diphenyl-1H-imidazole
SMILESc1ccc(-c2nc(SCC3CO3)[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C18H16N2OS/c1-3-7-13(8-4-1)16-17(14-9-5-2-6-10-14)20-18(19-16)22-12-15-11-21-15/h1-10,15H,11-12H2,(H,19,20)
InChIKeyOWFMHPWFNAJMCY-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.23
Rot. Bonds5

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

2-(oxiran-2-ylmethylsulfanyl)-4,5-diphenyl-1H-imidazole (PubChem CID 102517221) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethylsulfanyl)-4,5-diphenyl-1H-imidazole.

Molecular Properties

Compound Name2-(oxiran-2-ylmethylsulfanyl)-4,5-diphenyl-1H-imidazole
PubChem CID102517221
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC Name2-(oxiran-2-ylmethylsulfanyl)-4,5-diphenyl-1H-imidazole
SMILESc1ccc(-c2nc(SCC3CO3)[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C18H16N2OS/c1-3-7-13(8-4-1)16-17(14-9-5-2-6-10-14)20-18(19-16)22-12-15-11-21-15/h1-10,15H,11-12H2,(H,19,20)
InChIKeyOWFMHPWFNAJMCY-UHFFFAOYSA-N
XLogP4.23
TPSA41.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-ylmethylsulfanyl)-4,5-diphenyl-1H-imidazole?
The IUPAC name of 2-(oxiran-2-ylmethylsulfanyl)-4,5-diphenyl-1H-imidazole (CID 102517221) is 2-(oxiran-2-ylmethylsulfanyl)-4,5-diphenyl-1H-imidazole.
What is the SMILES notation for 2-(oxiran-2-ylmethylsulfanyl)-4,5-diphenyl-1H-imidazole?
The canonical SMILES for 2-(oxiran-2-ylmethylsulfanyl)-4,5-diphenyl-1H-imidazole is c1ccc(-c2nc(SCC3CO3)[nH]c2-c2ccccc2)cc1.
What is the InChIKey of 2-(oxiran-2-ylmethylsulfanyl)-4,5-diphenyl-1H-imidazole?
The InChIKey is OWFMHPWFNAJMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c1-3-7-13(8-4-1)16-17(14-9-5-2-6-10-14)20-18(19-16)22-12-15-11-21-15/h1-10,15H,11-12H2,(H,19,20).
What are the key properties of 2-(oxiran-2-ylmethylsulfanyl)-4,5-diphenyl-1H-imidazole?
2-(oxiran-2-ylmethylsulfanyl)-4,5-diphenyl-1H-imidazole has a molecular weight of 308.41 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethylsulfanyl)-4,5-diphenyl-1H-imidazole is sourced from PubChem (CID 102517221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).