1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide

C24H19F3N4O3S — CID 59240015

About 1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide

1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide (PubChem CID 59240015) has the molecular formula C24H19F3N4O3S and a molecular weight of 500.50 g/mol. Its IUPAC name is 1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide.

Molecular Properties

• Compound Name: 1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide
• PubChem CID: 59240015
• Molecular Formula: C24H19F3N4O3S
• Molecular Weight: 500.50 g/mol
• Exact Mass: 500.11
• IUPAC Name: 1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide
• SMILES: CS(=O)(=O)c1cccc(-c2ccc(-n3cc(C(=O)NN)nc3-c3ccccc3C(F)(F)F)cc2)c1
• InChI: InChI=1S/C24H19F3N4O3S/c1-35(33,34)18-6-4-5-16(13-18)15-9-11-17(12-10-15)31-14-21(23(32)30-28)29-22(31)19-7-2-3-8-20(19)24(25,26)27/h2-14H,28H2,1H3,(H,30,32)
• InChIKey: RUKVLWWKBOOOGQ-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 107.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.50
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide?

The IUPAC name of 1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide (CID 59240015) is 1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide.

What is the SMILES notation for 1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide?

The canonical SMILES for 1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide is CS(=O)(=O)c1cccc(-c2ccc(-n3cc(C(=O)NN)nc3-c3ccccc3C(F)(F)F)cc2)c1.

What is the InChIKey of 1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide?

The InChIKey is RUKVLWWKBOOOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O3S/c1-35(33,34)18-6-4-5-16(13-18)15-9-11-17(12-10-15)31-14-21(23(32)30-28)29-22(31)19-7-2-3-8-20(19)24(25,26)27/h2-14H,28H2,1H3,(H,30,32).

What are the key properties of 1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide?

1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide has a molecular weight of 500.50 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide is sourced from PubChem (CID 59240015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).