2-(4,5-diphenyl-2-sulfanylidene-1H-imidazol-3-yl)-1-phenylethanone

C23H18N2OS — CID 1265732

IUPAC2-(4,5-diphenyl-2-sulfanylidene-1H-imidazol-3-yl)-1-phenylethanone
SMILESO=C(Cn1c(-c2ccccc2)c(-c2ccccc2)[nH]c1=S)c1ccccc1
InChIInChI=1S/C23H18N2OS/c26-20(17-10-4-1-5-11-17)16-25-22(19-14-8-3-9-15-19)21(24-23(25)27)18-12-6-2-7-13-18/h1-15H,16H2,(H,24,27)
InChIKeyFDYTZUWLDOIJEA-UHFFFAOYSA-N
MW370.48 g/mol
LogP5.76
Rot. Bonds5

About 2-(4,5-diphenyl-2-sulfanylidene-1H-imidazol-3-yl)-1-phenylethanone

2-(4,5-diphenyl-2-sulfanylidene-1H-imidazol-3-yl)-1-phenylethanone (PubChem CID 1265732) has the molecular formula C23H18N2OS and a molecular weight of 370.48 g/mol. Its IUPAC name is 2-(4,5-diphenyl-2-sulfanylidene-1H-imidazol-3-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(4,5-diphenyl-2-sulfanylidene-1H-imidazol-3-yl)-1-phenylethanone
PubChem CID1265732
Molecular FormulaC23H18N2OS
Molecular Weight370.48 g/mol
Exact Mass370.11
IUPAC Name2-(4,5-diphenyl-2-sulfanylidene-1H-imidazol-3-yl)-1-phenylethanone
SMILESO=C(Cn1c(-c2ccccc2)c(-c2ccccc2)[nH]c1=S)c1ccccc1
InChIInChI=1S/C23H18N2OS/c26-20(17-10-4-1-5-11-17)16-25-22(19-14-8-3-9-15-19)21(24-23(25)27)18-12-6-2-7-13-18/h1-15H,16H2,(H,24,27)
InChIKeyFDYTZUWLDOIJEA-UHFFFAOYSA-N
XLogP5.76
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.48
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-diphenyl-2-sulfanylidene-1H-imidazol-3-yl)-1-phenylethanone?
The IUPAC name of 2-(4,5-diphenyl-2-sulfanylidene-1H-imidazol-3-yl)-1-phenylethanone (CID 1265732) is 2-(4,5-diphenyl-2-sulfanylidene-1H-imidazol-3-yl)-1-phenylethanone.
What is the SMILES notation for 2-(4,5-diphenyl-2-sulfanylidene-1H-imidazol-3-yl)-1-phenylethanone?
The canonical SMILES for 2-(4,5-diphenyl-2-sulfanylidene-1H-imidazol-3-yl)-1-phenylethanone is O=C(Cn1c(-c2ccccc2)c(-c2ccccc2)[nH]c1=S)c1ccccc1.
What is the InChIKey of 2-(4,5-diphenyl-2-sulfanylidene-1H-imidazol-3-yl)-1-phenylethanone?
The InChIKey is FDYTZUWLDOIJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2OS/c26-20(17-10-4-1-5-11-17)16-25-22(19-14-8-3-9-15-19)21(24-23(25)27)18-12-6-2-7-13-18/h1-15H,16H2,(H,24,27).
What are the key properties of 2-(4,5-diphenyl-2-sulfanylidene-1H-imidazol-3-yl)-1-phenylethanone?
2-(4,5-diphenyl-2-sulfanylidene-1H-imidazol-3-yl)-1-phenylethanone has a molecular weight of 370.48 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-diphenyl-2-sulfanylidene-1H-imidazol-3-yl)-1-phenylethanone is sourced from PubChem (CID 1265732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).