3-[[5-[5-fluoro-2-(hydroxymethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide

C22H16F4N4O3 — CID 134459981

IUPAC3-[[5-[5-fluoro-2-(hydroxymethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide
SMILESO=C(NO)c1cccc(Nc2nc3cc(-c4cc(F)ccc4CO)c(C(F)(F)F)cc3[nH]2)c1
InChIInChI=1S/C22H16F4N4O3/c23-13-5-4-12(10-31)15(7-13)16-8-18-19(9-17(16)22(24,25)26)29-21(28-18)27-14-3-1-2-11(6-14)20(32)30-33/h1-9,31,33H,10H2,(H,30,32)(H2,27,28,29)
InChIKeyFMGZSMNKSPKCPX-UHFFFAOYSA-N
MW460.39 g/mol
LogP4.74
Rot. Bonds5

About 3-[[5-[5-fluoro-2-(hydroxymethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide

3-[[5-[5-fluoro-2-(hydroxymethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide (PubChem CID 134459981) has the molecular formula C22H16F4N4O3 and a molecular weight of 460.39 g/mol. Its IUPAC name is 3-[[5-[5-fluoro-2-(hydroxymethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide.

Molecular Properties

Compound Name3-[[5-[5-fluoro-2-(hydroxymethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide
PubChem CID134459981
Molecular FormulaC22H16F4N4O3
Molecular Weight460.39 g/mol
Exact Mass460.12
IUPAC Name3-[[5-[5-fluoro-2-(hydroxymethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide
SMILESO=C(NO)c1cccc(Nc2nc3cc(-c4cc(F)ccc4CO)c(C(F)(F)F)cc3[nH]2)c1
InChIInChI=1S/C22H16F4N4O3/c23-13-5-4-12(10-31)15(7-13)16-8-18-19(9-17(16)22(24,25)26)29-21(28-18)27-14-3-1-2-11(6-14)20(32)30-33/h1-9,31,33H,10H2,(H,30,32)(H2,27,28,29)
InChIKeyFMGZSMNKSPKCPX-UHFFFAOYSA-N
XLogP4.74
TPSA110.27 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.39
LogP ≤ 54.74
H-Bond Donors ≤ 55
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 3-[[5-[5-fluoro-2-(hydroxymethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide 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-[[5-[5-fluoro-2-(hydroxymethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide?
The IUPAC name of 3-[[5-[5-fluoro-2-(hydroxymethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide (CID 134459981) is 3-[[5-[5-fluoro-2-(hydroxymethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide.
What is the SMILES notation for 3-[[5-[5-fluoro-2-(hydroxymethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide?
The canonical SMILES for 3-[[5-[5-fluoro-2-(hydroxymethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide is O=C(NO)c1cccc(Nc2nc3cc(-c4cc(F)ccc4CO)c(C(F)(F)F)cc3[nH]2)c1.
What is the InChIKey of 3-[[5-[5-fluoro-2-(hydroxymethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide?
The InChIKey is FMGZSMNKSPKCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F4N4O3/c23-13-5-4-12(10-31)15(7-13)16-8-18-19(9-17(16)22(24,25)26)29-21(28-18)27-14-3-1-2-11(6-14)20(32)30-33/h1-9,31,33H,10H2,(H,30,32)(H2,27,28,29).
What are the key properties of 3-[[5-[5-fluoro-2-(hydroxymethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide?
3-[[5-[5-fluoro-2-(hydroxymethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide has a molecular weight of 460.39 g/mol, XLogP of 4.74, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[5-fluoro-2-(hydroxymethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide is sourced from PubChem (CID 134459981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).