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

C17H11F3N4O2 — CID 166595572

IUPAC3-[[6-ethynyl-5-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide
SMILESC#Cc1cc2[nH]c(Nc3cccc(C(=O)NO)c3)nc2cc1C(F)(F)F
InChIInChI=1S/C17H11F3N4O2/c1-2-9-7-13-14(8-12(9)17(18,19)20)23-16(22-13)21-11-5-3-4-10(6-11)15(25)24-26/h1,3-8,26H,(H,24,25)(H2,21,22,23)
InChIKeyWYZSLVFBQKVLNE-UHFFFAOYSA-N
MW360.30 g/mol
LogP3.43
Rot. Bonds3

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

3-[[6-ethynyl-5-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide (PubChem CID 166595572) has the molecular formula C17H11F3N4O2 and a molecular weight of 360.30 g/mol. Its IUPAC name is 3-[[6-ethynyl-5-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide.

Molecular Properties

Compound Name3-[[6-ethynyl-5-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide
PubChem CID166595572
Molecular FormulaC17H11F3N4O2
Molecular Weight360.30 g/mol
Exact Mass360.08
IUPAC Name3-[[6-ethynyl-5-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide
SMILESC#Cc1cc2[nH]c(Nc3cccc(C(=O)NO)c3)nc2cc1C(F)(F)F
InChIInChI=1S/C17H11F3N4O2/c1-2-9-7-13-14(8-12(9)17(18,19)20)23-16(22-13)21-11-5-3-4-10(6-11)15(25)24-26/h1,3-8,26H,(H,24,25)(H2,21,22,23)
InChIKeyWYZSLVFBQKVLNE-UHFFFAOYSA-N
XLogP3.43
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 53.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide
CID 134459673
N-hydroxy-3-[[5-pyridin-4-yl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide
CID 134459699
3-[(5-cyano-6-methylsulfonyl-1H-benzimidazol-2-yl)amino]-N-hydroxybenzamide
CID 134459637
3-[[5-phenyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide
CID 175734132
methyl 3-[[5-pyridin-3-yl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzoate
CID 134459655
N-hydroxy-2-[2-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 122690152
3-[[6-cyano-1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide
CID 134459646
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide
CID 87318781
N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 122690134
3-[[6-cyano-1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzoic acid
CID 134492557
3-[(6-ethoxy-1H-benzimidazol-2-yl)amino]benzoic acid
CID 50878352
N-(3-bromophenyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide
CID 45138811

Frequently Asked Questions

What is the IUPAC name of 3-[[6-ethynyl-5-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide?
The IUPAC name of 3-[[6-ethynyl-5-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide (CID 166595572) is 3-[[6-ethynyl-5-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide.
What is the SMILES notation for 3-[[6-ethynyl-5-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide?
The canonical SMILES for 3-[[6-ethynyl-5-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide is C#Cc1cc2[nH]c(Nc3cccc(C(=O)NO)c3)nc2cc1C(F)(F)F.
What is the InChIKey of 3-[[6-ethynyl-5-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide?
The InChIKey is WYZSLVFBQKVLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O2/c1-2-9-7-13-14(8-12(9)17(18,19)20)23-16(22-13)21-11-5-3-4-10(6-11)15(25)24-26/h1,3-8,26H,(H,24,25)(H2,21,22,23).
What are the key properties of 3-[[6-ethynyl-5-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide?
3-[[6-ethynyl-5-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide has a molecular weight of 360.30 g/mol, XLogP of 3.43, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-ethynyl-5-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide is sourced from PubChem (CID 166595572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).