2-(1,4-diphenylimidazol-2-yl)sulfanylacetohydrazide

C17H16N4OS — CID 2816928

IUPAC2-(1,4-diphenylimidazol-2-yl)sulfanylacetohydrazide
SMILESNNC(=O)CSc1nc(-c2ccccc2)cn1-c1ccccc1
InChIInChI=1S/C17H16N4OS/c18-20-16(22)12-23-17-19-15(13-7-3-1-4-8-13)11-21(17)14-9-5-2-6-10-14/h1-11H,12,18H2,(H,20,22)
InChIKeyAJZKAFMGODVEBG-UHFFFAOYSA-N
MW324.41 g/mol
LogP2.62
Rot. Bonds5

About 2-(1,4-diphenylimidazol-2-yl)sulfanylacetohydrazide

2-(1,4-diphenylimidazol-2-yl)sulfanylacetohydrazide (PubChem CID 2816928) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is 2-(1,4-diphenylimidazol-2-yl)sulfanylacetohydrazide.

Molecular Properties

Compound Name2-(1,4-diphenylimidazol-2-yl)sulfanylacetohydrazide
PubChem CID2816928
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC Name2-(1,4-diphenylimidazol-2-yl)sulfanylacetohydrazide
SMILESNNC(=O)CSc1nc(-c2ccccc2)cn1-c1ccccc1
InChIInChI=1S/C17H16N4OS/c18-20-16(22)12-23-17-19-15(13-7-3-1-4-8-13)11-21(17)14-9-5-2-6-10-14/h1-11H,12,18H2,(H,20,22)
InChIKeyAJZKAFMGODVEBG-UHFFFAOYSA-N
XLogP2.62
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(1,4-diphenylimidazol-2-yl)sulfanylacetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diphenylimidazol-2-yl)sulfanylacetohydrazide?
The IUPAC name of 2-(1,4-diphenylimidazol-2-yl)sulfanylacetohydrazide (CID 2816928) is 2-(1,4-diphenylimidazol-2-yl)sulfanylacetohydrazide.
What is the SMILES notation for 2-(1,4-diphenylimidazol-2-yl)sulfanylacetohydrazide?
The canonical SMILES for 2-(1,4-diphenylimidazol-2-yl)sulfanylacetohydrazide is NNC(=O)CSc1nc(-c2ccccc2)cn1-c1ccccc1.
What is the InChIKey of 2-(1,4-diphenylimidazol-2-yl)sulfanylacetohydrazide?
The InChIKey is AJZKAFMGODVEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c18-20-16(22)12-23-17-19-15(13-7-3-1-4-8-13)11-21(17)14-9-5-2-6-10-14/h1-11H,12,18H2,(H,20,22).
What are the key properties of 2-(1,4-diphenylimidazol-2-yl)sulfanylacetohydrazide?
2-(1,4-diphenylimidazol-2-yl)sulfanylacetohydrazide has a molecular weight of 324.41 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diphenylimidazol-2-yl)sulfanylacetohydrazide is sourced from PubChem (CID 2816928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).