3-(4-fluorophenyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]imidazole-4-carbohydrazide

C19H17FN4O2S — CID 25372521

IUPAC3-(4-fluorophenyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]imidazole-4-carbohydrazide
SMILESCc1ccc(SCC(=O)NNC(=O)c2cncn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H17FN4O2S/c1-13-2-8-16(9-3-13)27-11-18(25)22-23-19(26)17-10-21-12-24(17)15-6-4-14(20)5-7-15/h2-10,12H,11H2,1H3,(H,22,25)(H,23,26)
InChIKeyYVSNFFQNKZSNMO-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.87
Rot. Bonds5

About 3-(4-fluorophenyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]imidazole-4-carbohydrazide

3-(4-fluorophenyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]imidazole-4-carbohydrazide (PubChem CID 25372521) has the molecular formula C19H17FN4O2S and a molecular weight of 384.44 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]imidazole-4-carbohydrazide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]imidazole-4-carbohydrazide
PubChem CID25372521
Molecular FormulaC19H17FN4O2S
Molecular Weight384.44 g/mol
Exact Mass384.11
IUPAC Name3-(4-fluorophenyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]imidazole-4-carbohydrazide
SMILESCc1ccc(SCC(=O)NNC(=O)c2cncn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H17FN4O2S/c1-13-2-8-16(9-3-13)27-11-18(25)22-23-19(26)17-10-21-12-24(17)15-6-4-14(20)5-7-15/h2-10,12H,11H2,1H3,(H,22,25)(H,23,26)
InChIKeyYVSNFFQNKZSNMO-UHFFFAOYSA-N
XLogP2.87
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(4-fluorophenyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]imidazole-4-carbohydrazide 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 3-(4-fluorophenyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]imidazole-4-carbohydrazide?
The IUPAC name of 3-(4-fluorophenyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]imidazole-4-carbohydrazide (CID 25372521) is 3-(4-fluorophenyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]imidazole-4-carbohydrazide.
What is the SMILES notation for 3-(4-fluorophenyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]imidazole-4-carbohydrazide?
The canonical SMILES for 3-(4-fluorophenyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]imidazole-4-carbohydrazide is Cc1ccc(SCC(=O)NNC(=O)c2cncn2-c2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]imidazole-4-carbohydrazide?
The InChIKey is YVSNFFQNKZSNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2S/c1-13-2-8-16(9-3-13)27-11-18(25)22-23-19(26)17-10-21-12-24(17)15-6-4-14(20)5-7-15/h2-10,12H,11H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 3-(4-fluorophenyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]imidazole-4-carbohydrazide?
3-(4-fluorophenyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]imidazole-4-carbohydrazide has a molecular weight of 384.44 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]imidazole-4-carbohydrazide is sourced from PubChem (CID 25372521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).