2-[2-(2-phenylethylsulfanyl)phenyl]-1H-imidazole

C17H16N2S — CID 67618157

IUPAC2-[2-(2-phenylethylsulfanyl)phenyl]-1H-imidazole
SMILESc1ccc(CCSc2ccccc2-c2ncc[nH]2)cc1
InChIInChI=1S/C17H16N2S/c1-2-6-14(7-3-1)10-13-20-16-9-5-4-8-15(16)17-18-11-12-19-17/h1-9,11-12H,10,13H2,(H,18,19)
InChIKeyDPDWNTPXWVNAQQ-UHFFFAOYSA-N
MW280.40 g/mol
LogP4.41
Rot. Bonds5

About 2-[2-(2-phenylethylsulfanyl)phenyl]-1H-imidazole

2-[2-(2-phenylethylsulfanyl)phenyl]-1H-imidazole (PubChem CID 67618157) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is 2-[2-(2-phenylethylsulfanyl)phenyl]-1H-imidazole.

Molecular Properties

Compound Name2-[2-(2-phenylethylsulfanyl)phenyl]-1H-imidazole
PubChem CID67618157
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC Name2-[2-(2-phenylethylsulfanyl)phenyl]-1H-imidazole
SMILESc1ccc(CCSc2ccccc2-c2ncc[nH]2)cc1
InChIInChI=1S/C17H16N2S/c1-2-6-14(7-3-1)10-13-20-16-9-5-4-8-15(16)17-18-11-12-19-17/h1-9,11-12H,10,13H2,(H,18,19)
InChIKeyDPDWNTPXWVNAQQ-UHFFFAOYSA-N
XLogP4.41
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-phenylethylsulfanyl)phenyl]-1H-imidazole?
The IUPAC name of 2-[2-(2-phenylethylsulfanyl)phenyl]-1H-imidazole (CID 67618157) is 2-[2-(2-phenylethylsulfanyl)phenyl]-1H-imidazole.
What is the SMILES notation for 2-[2-(2-phenylethylsulfanyl)phenyl]-1H-imidazole?
The canonical SMILES for 2-[2-(2-phenylethylsulfanyl)phenyl]-1H-imidazole is c1ccc(CCSc2ccccc2-c2ncc[nH]2)cc1.
What is the InChIKey of 2-[2-(2-phenylethylsulfanyl)phenyl]-1H-imidazole?
The InChIKey is DPDWNTPXWVNAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-2-6-14(7-3-1)10-13-20-16-9-5-4-8-15(16)17-18-11-12-19-17/h1-9,11-12H,10,13H2,(H,18,19).
What are the key properties of 2-[2-(2-phenylethylsulfanyl)phenyl]-1H-imidazole?
2-[2-(2-phenylethylsulfanyl)phenyl]-1H-imidazole has a molecular weight of 280.40 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-phenylethylsulfanyl)phenyl]-1H-imidazole is sourced from PubChem (CID 67618157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).