2-(cyclohexyldisulfanyl)-5-phenyl-1H-imidazole

C15H18N2S2 — CID 71562930

IUPAC2-(cyclohexyldisulfanyl)-5-phenyl-1H-imidazole
SMILESc1ccc(-c2cnc(SSC3CCCCC3)[nH]2)cc1
InChIInChI=1S/C15H18N2S2/c1-3-7-12(8-4-1)14-11-16-15(17-14)19-18-13-9-5-2-6-10-13/h1,3-4,7-8,11,13H,2,5-6,9-10H2,(H,16,17)
InChIKeyYZUUEDUONFXARK-UHFFFAOYSA-N
MW290.46 g/mol
LogP5.15
Rot. Bonds4

About 2-(cyclohexyldisulfanyl)-5-phenyl-1H-imidazole

2-(cyclohexyldisulfanyl)-5-phenyl-1H-imidazole (PubChem CID 71562930) has the molecular formula C15H18N2S2 and a molecular weight of 290.46 g/mol. Its IUPAC name is 2-(cyclohexyldisulfanyl)-5-phenyl-1H-imidazole.

Molecular Properties

Compound Name2-(cyclohexyldisulfanyl)-5-phenyl-1H-imidazole
PubChem CID71562930
Molecular FormulaC15H18N2S2
Molecular Weight290.46 g/mol
Exact Mass290.09
IUPAC Name2-(cyclohexyldisulfanyl)-5-phenyl-1H-imidazole
SMILESc1ccc(-c2cnc(SSC3CCCCC3)[nH]2)cc1
InChIInChI=1S/C15H18N2S2/c1-3-7-12(8-4-1)14-11-16-15(17-14)19-18-13-9-5-2-6-10-13/h1,3-4,7-8,11,13H,2,5-6,9-10H2,(H,16,17)
InChIKeyYZUUEDUONFXARK-UHFFFAOYSA-N
XLogP5.15
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.46
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexyldisulfanyl)-5-phenyl-1H-imidazole?
The IUPAC name of 2-(cyclohexyldisulfanyl)-5-phenyl-1H-imidazole (CID 71562930) is 2-(cyclohexyldisulfanyl)-5-phenyl-1H-imidazole.
What is the SMILES notation for 2-(cyclohexyldisulfanyl)-5-phenyl-1H-imidazole?
The canonical SMILES for 2-(cyclohexyldisulfanyl)-5-phenyl-1H-imidazole is c1ccc(-c2cnc(SSC3CCCCC3)[nH]2)cc1.
What is the InChIKey of 2-(cyclohexyldisulfanyl)-5-phenyl-1H-imidazole?
The InChIKey is YZUUEDUONFXARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S2/c1-3-7-12(8-4-1)14-11-16-15(17-14)19-18-13-9-5-2-6-10-13/h1,3-4,7-8,11,13H,2,5-6,9-10H2,(H,16,17).
What are the key properties of 2-(cyclohexyldisulfanyl)-5-phenyl-1H-imidazole?
2-(cyclohexyldisulfanyl)-5-phenyl-1H-imidazole has a molecular weight of 290.46 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexyldisulfanyl)-5-phenyl-1H-imidazole is sourced from PubChem (CID 71562930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).