1-phenyl-2-(2-phenylethylsulfanyl)imidazole

C17H16N2S — CID 1477534

IUPAC1-phenyl-2-(2-phenylethylsulfanyl)imidazole
SMILESc1ccc(CCSc2nccn2-c2ccccc2)cc1
InChIInChI=1S/C17H16N2S/c1-3-7-15(8-4-1)11-14-20-17-18-12-13-19(17)16-9-5-2-6-10-16/h1-10,12-13H,11,14H2
InChIKeyVARJAHYAMWUYFI-UHFFFAOYSA-N
MW280.40 g/mol
LogP4.21
Rot. Bonds5

About 1-phenyl-2-(2-phenylethylsulfanyl)imidazole

1-phenyl-2-(2-phenylethylsulfanyl)imidazole (PubChem CID 1477534) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is 1-phenyl-2-(2-phenylethylsulfanyl)imidazole.

Molecular Properties

Compound Name1-phenyl-2-(2-phenylethylsulfanyl)imidazole
PubChem CID1477534
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC Name1-phenyl-2-(2-phenylethylsulfanyl)imidazole
SMILESc1ccc(CCSc2nccn2-c2ccccc2)cc1
InChIInChI=1S/C17H16N2S/c1-3-7-15(8-4-1)11-14-20-17-18-12-13-19(17)16-9-5-2-6-10-16/h1-10,12-13H,11,14H2
InChIKeyVARJAHYAMWUYFI-UHFFFAOYSA-N
XLogP4.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(2-phenylethylsulfanyl)imidazole?
The IUPAC name of 1-phenyl-2-(2-phenylethylsulfanyl)imidazole (CID 1477534) is 1-phenyl-2-(2-phenylethylsulfanyl)imidazole.
What is the SMILES notation for 1-phenyl-2-(2-phenylethylsulfanyl)imidazole?
The canonical SMILES for 1-phenyl-2-(2-phenylethylsulfanyl)imidazole is c1ccc(CCSc2nccn2-c2ccccc2)cc1.
What is the InChIKey of 1-phenyl-2-(2-phenylethylsulfanyl)imidazole?
The InChIKey is VARJAHYAMWUYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-3-7-15(8-4-1)11-14-20-17-18-12-13-19(17)16-9-5-2-6-10-16/h1-10,12-13H,11,14H2.
What are the key properties of 1-phenyl-2-(2-phenylethylsulfanyl)imidazole?
1-phenyl-2-(2-phenylethylsulfanyl)imidazole has a molecular weight of 280.40 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(2-phenylethylsulfanyl)imidazole is sourced from PubChem (CID 1477534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).