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

C22H17F3N4O3 — CID 134460000

IUPACN-hydroxy-3-[[5-[2-(hydroxymethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide
SMILESO=C(NO)c1cccc(Nc2nc3cc(-c4ccccc4CO)c(C(F)(F)F)cc3[nH]2)c1
InChIInChI=1S/C22H17F3N4O3/c23-22(24,25)17-10-19-18(9-16(17)15-7-2-1-4-13(15)11-30)27-21(28-19)26-14-6-3-5-12(8-14)20(31)29-32/h1-10,30,32H,11H2,(H,29,31)(H2,26,27,28)
InChIKeyHTPYKBOYYXKMDQ-UHFFFAOYSA-N
MW442.40 g/mol
LogP4.60
Rot. Bonds5

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

N-hydroxy-3-[[5-[2-(hydroxymethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide (PubChem CID 134460000) has the molecular formula C22H17F3N4O3 and a molecular weight of 442.40 g/mol. Its IUPAC name is N-hydroxy-3-[[5-[2-(hydroxymethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-hydroxy-3-[[5-[2-(hydroxymethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide
PubChem CID134460000
Molecular FormulaC22H17F3N4O3
Molecular Weight442.40 g/mol
Exact Mass442.13
IUPAC NameN-hydroxy-3-[[5-[2-(hydroxymethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide
SMILESO=C(NO)c1cccc(Nc2nc3cc(-c4ccccc4CO)c(C(F)(F)F)cc3[nH]2)c1
InChIInChI=1S/C22H17F3N4O3/c23-22(24,25)17-10-19-18(9-16(17)15-7-2-1-4-13(15)11-30)27-21(28-19)26-14-6-3-5-12(8-14)20(31)29-32/h1-10,30,32H,11H2,(H,29,31)(H2,26,27,28)
InChIKeyHTPYKBOYYXKMDQ-UHFFFAOYSA-N
XLogP4.60
TPSA110.27 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.40
LogP ≤ 54.60
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'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[[5-[2-(hydroxymethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide?
The IUPAC name of N-hydroxy-3-[[5-[2-(hydroxymethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide (CID 134460000) is N-hydroxy-3-[[5-[2-(hydroxymethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide.
What is the SMILES notation for N-hydroxy-3-[[5-[2-(hydroxymethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide?
The canonical SMILES for N-hydroxy-3-[[5-[2-(hydroxymethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide is O=C(NO)c1cccc(Nc2nc3cc(-c4ccccc4CO)c(C(F)(F)F)cc3[nH]2)c1.
What is the InChIKey of N-hydroxy-3-[[5-[2-(hydroxymethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide?
The InChIKey is HTPYKBOYYXKMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O3/c23-22(24,25)17-10-19-18(9-16(17)15-7-2-1-4-13(15)11-30)27-21(28-19)26-14-6-3-5-12(8-14)20(31)29-32/h1-10,30,32H,11H2,(H,29,31)(H2,26,27,28).
What are the key properties of N-hydroxy-3-[[5-[2-(hydroxymethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide?
N-hydroxy-3-[[5-[2-(hydroxymethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide has a molecular weight of 442.40 g/mol, XLogP of 4.60, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[[5-[2-(hydroxymethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide is sourced from PubChem (CID 134460000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).