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

C20H14F3N5O2 — CID 134459699

IUPACN-hydroxy-3-[[5-pyridin-4-yl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide
SMILESO=C(NO)c1cccc(Nc2nc3cc(-c4ccncc4)c(C(F)(F)F)cc3[nH]2)c1
InChIInChI=1S/C20H14F3N5O2/c21-20(22,23)15-10-17-16(9-14(15)11-4-6-24-7-5-11)26-19(27-17)25-13-3-1-2-12(8-13)18(29)28-30/h1-10,30H,(H,28,29)(H2,25,26,27)
InChIKeyDBSQOKQECVFSOD-UHFFFAOYSA-N
MW413.36 g/mol
LogP4.51
Rot. Bonds4

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

N-hydroxy-3-[[5-pyridin-4-yl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide (PubChem CID 134459699) has the molecular formula C20H14F3N5O2 and a molecular weight of 413.36 g/mol. Its IUPAC name is N-hydroxy-3-[[5-pyridin-4-yl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-hydroxy-3-[[5-pyridin-4-yl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide
PubChem CID134459699
Molecular FormulaC20H14F3N5O2
Molecular Weight413.36 g/mol
Exact Mass413.11
IUPAC NameN-hydroxy-3-[[5-pyridin-4-yl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide
SMILESO=C(NO)c1cccc(Nc2nc3cc(-c4ccncc4)c(C(F)(F)F)cc3[nH]2)c1
InChIInChI=1S/C20H14F3N5O2/c21-20(22,23)15-10-17-16(9-14(15)11-4-6-24-7-5-11)26-19(27-17)25-13-3-1-2-12(8-13)18(29)28-30/h1-10,30H,(H,28,29)(H2,25,26,27)
InChIKeyDBSQOKQECVFSOD-UHFFFAOYSA-N
XLogP4.51
TPSA102.93 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.36
LogP ≤ 54.51
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'}

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Related Compounds

3-[[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide
CID 134459673
3-[[5-phenyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide
CID 175734132
3-[[6-ethynyl-5-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide
CID 166595572
methyl 3-[[5-pyridin-3-yl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzoate
CID 134459655
3-[(5-cyano-6-methylsulfonyl-1H-benzimidazol-2-yl)amino]-N-hydroxybenzamide
CID 134459637
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide
CID 87318781
3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(trifluoromethyl)-1H-indol-2-yl]amino]-N-hydroxybenzamide
CID 138488589
N-methyl-4-[[2-[3-[3-(trifluoromethyl)-4-pyridinyl]anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;molecular hydrogen
CID 159099753
N-hydroxy-2-[2-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 122690152
N-(3-bromophenyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide
CID 45138811
[2-[3-[[5-cyano-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-methylamino]phenyl]-2-oxoethyl] N-benzylcarbamate;3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(trifluoromethyl)-3H-indol-2-yl]amino]-N-hydroxybenzamide;[2-oxo-2-[3-[[5-phenyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]phenyl]ethyl] N-benzylcarbamate
CID 160938704
N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 122690134

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[[5-pyridin-4-yl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide?
The IUPAC name of N-hydroxy-3-[[5-pyridin-4-yl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide (CID 134459699) is N-hydroxy-3-[[5-pyridin-4-yl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide.
What is the SMILES notation for N-hydroxy-3-[[5-pyridin-4-yl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide?
The canonical SMILES for N-hydroxy-3-[[5-pyridin-4-yl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide is O=C(NO)c1cccc(Nc2nc3cc(-c4ccncc4)c(C(F)(F)F)cc3[nH]2)c1.
What is the InChIKey of N-hydroxy-3-[[5-pyridin-4-yl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide?
The InChIKey is DBSQOKQECVFSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O2/c21-20(22,23)15-10-17-16(9-14(15)11-4-6-24-7-5-11)26-19(27-17)25-13-3-1-2-12(8-13)18(29)28-30/h1-10,30H,(H,28,29)(H2,25,26,27).
What are the key properties of N-hydroxy-3-[[5-pyridin-4-yl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide?
N-hydroxy-3-[[5-pyridin-4-yl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide has a molecular weight of 413.36 g/mol, XLogP of 4.51, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[[5-pyridin-4-yl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide is sourced from PubChem (CID 134459699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).