N-hydroxy-3-[[5-(4-methylsulfanylphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide

C22H17F3N4O2S — CID 134459698

IUPACN-hydroxy-3-[[5-(4-methylsulfanylphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide
SMILESCSc1ccc(-c2cc3nc(Nc4cccc(C(=O)NO)c4)[nH]c3cc2C(F)(F)F)cc1
InChIInChI=1S/C22H17F3N4O2S/c1-32-15-7-5-12(6-8-15)16-10-18-19(11-17(16)22(23,24)25)28-21(27-18)26-14-4-2-3-13(9-14)20(30)29-31/h2-11,31H,1H3,(H,29,30)(H2,26,27,28)
InChIKeyQOVUMANTEAIPOR-UHFFFAOYSA-N
MW458.47 g/mol
LogP5.83
Rot. Bonds5

About N-hydroxy-3-[[5-(4-methylsulfanylphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide

N-hydroxy-3-[[5-(4-methylsulfanylphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide (PubChem CID 134459698) has the molecular formula C22H17F3N4O2S and a molecular weight of 458.47 g/mol. Its IUPAC name is N-hydroxy-3-[[5-(4-methylsulfanylphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-hydroxy-3-[[5-(4-methylsulfanylphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide
PubChem CID134459698
Molecular FormulaC22H17F3N4O2S
Molecular Weight458.47 g/mol
Exact Mass458.10
IUPAC NameN-hydroxy-3-[[5-(4-methylsulfanylphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide
SMILESCSc1ccc(-c2cc3nc(Nc4cccc(C(=O)NO)c4)[nH]c3cc2C(F)(F)F)cc1
InChIInChI=1S/C22H17F3N4O2S/c1-32-15-7-5-12(6-8-15)16-10-18-19(11-17(16)22(23,24)25)28-21(27-18)26-14-4-2-3-13(9-14)20(30)29-31/h2-11,31H,1H3,(H,29,30)(H2,26,27,28)
InChIKeyQOVUMANTEAIPOR-UHFFFAOYSA-N
XLogP5.83
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.47
LogP ≤ 55.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-hydroxy-3-[[5-(4-methylsulfanylphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide 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 N-hydroxy-3-[[5-(4-methylsulfanylphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide?
The IUPAC name of N-hydroxy-3-[[5-(4-methylsulfanylphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide (CID 134459698) is N-hydroxy-3-[[5-(4-methylsulfanylphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide.
What is the SMILES notation for N-hydroxy-3-[[5-(4-methylsulfanylphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide?
The canonical SMILES for N-hydroxy-3-[[5-(4-methylsulfanylphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide is CSc1ccc(-c2cc3nc(Nc4cccc(C(=O)NO)c4)[nH]c3cc2C(F)(F)F)cc1.
What is the InChIKey of N-hydroxy-3-[[5-(4-methylsulfanylphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide?
The InChIKey is QOVUMANTEAIPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O2S/c1-32-15-7-5-12(6-8-15)16-10-18-19(11-17(16)22(23,24)25)28-21(27-18)26-14-4-2-3-13(9-14)20(30)29-31/h2-11,31H,1H3,(H,29,30)(H2,26,27,28).
What are the key properties of N-hydroxy-3-[[5-(4-methylsulfanylphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide?
N-hydroxy-3-[[5-(4-methylsulfanylphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide has a molecular weight of 458.47 g/mol, XLogP of 5.83, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[[5-(4-methylsulfanylphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide is sourced from PubChem (CID 134459698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).