5-(4-phenylphenyl)-2-(phenylsulfanylmethyl)-1H-imidazole

C22H18N2S — CID 11473346

IUPAC5-(4-phenylphenyl)-2-(phenylsulfanylmethyl)-1H-imidazole
SMILESc1ccc(SCc2ncc(-c3ccc(-c4ccccc4)cc3)[nH]2)cc1
InChIInChI=1S/C22H18N2S/c1-3-7-17(8-4-1)18-11-13-19(14-12-18)21-15-23-22(24-21)16-25-20-9-5-2-6-10-20/h1-15H,16H2,(H,23,24)
InChIKeyBZORRVYXGBTHMC-UHFFFAOYSA-N
MW342.47 g/mol
LogP6.04
Rot. Bonds5

About 5-(4-phenylphenyl)-2-(phenylsulfanylmethyl)-1H-imidazole

5-(4-phenylphenyl)-2-(phenylsulfanylmethyl)-1H-imidazole (PubChem CID 11473346) has the molecular formula C22H18N2S and a molecular weight of 342.47 g/mol. Its IUPAC name is 5-(4-phenylphenyl)-2-(phenylsulfanylmethyl)-1H-imidazole.

Molecular Properties

Compound Name5-(4-phenylphenyl)-2-(phenylsulfanylmethyl)-1H-imidazole
PubChem CID11473346
Molecular FormulaC22H18N2S
Molecular Weight342.47 g/mol
Exact Mass342.12
IUPAC Name5-(4-phenylphenyl)-2-(phenylsulfanylmethyl)-1H-imidazole
SMILESc1ccc(SCc2ncc(-c3ccc(-c4ccccc4)cc3)[nH]2)cc1
InChIInChI=1S/C22H18N2S/c1-3-7-17(8-4-1)18-11-13-19(14-12-18)21-15-23-22(24-21)16-25-20-9-5-2-6-10-20/h1-15H,16H2,(H,23,24)
InChIKeyBZORRVYXGBTHMC-UHFFFAOYSA-N
XLogP6.04
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.47
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylphenyl)-2-(phenylsulfanylmethyl)-1H-imidazole?
The IUPAC name of 5-(4-phenylphenyl)-2-(phenylsulfanylmethyl)-1H-imidazole (CID 11473346) is 5-(4-phenylphenyl)-2-(phenylsulfanylmethyl)-1H-imidazole.
What is the SMILES notation for 5-(4-phenylphenyl)-2-(phenylsulfanylmethyl)-1H-imidazole?
The canonical SMILES for 5-(4-phenylphenyl)-2-(phenylsulfanylmethyl)-1H-imidazole is c1ccc(SCc2ncc(-c3ccc(-c4ccccc4)cc3)[nH]2)cc1.
What is the InChIKey of 5-(4-phenylphenyl)-2-(phenylsulfanylmethyl)-1H-imidazole?
The InChIKey is BZORRVYXGBTHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2S/c1-3-7-17(8-4-1)18-11-13-19(14-12-18)21-15-23-22(24-21)16-25-20-9-5-2-6-10-20/h1-15H,16H2,(H,23,24).
What are the key properties of 5-(4-phenylphenyl)-2-(phenylsulfanylmethyl)-1H-imidazole?
5-(4-phenylphenyl)-2-(phenylsulfanylmethyl)-1H-imidazole has a molecular weight of 342.47 g/mol, XLogP of 6.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylphenyl)-2-(phenylsulfanylmethyl)-1H-imidazole is sourced from PubChem (CID 11473346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).