N-hydroxy-3-[(5-isocyano-6-methyl-1H-benzimidazol-2-yl)oxy]benzamide

C16H12N4O3 — CID 161113178

IUPACN-hydroxy-3-[(5-isocyano-6-methyl-1H-benzimidazol-2-yl)oxy]benzamide
SMILES[C-]#[N+]c1cc2nc(Oc3cccc(C(=O)NO)c3)[nH]c2cc1C
InChIInChI=1S/C16H12N4O3/c1-9-6-13-14(8-12(9)17-2)19-16(18-13)23-11-5-3-4-10(7-11)15(21)20-22/h3-8,22H,1H3,(H,18,19)(H,20,21)
InChIKeySXUUSZRWGLUNBB-UHFFFAOYSA-N
MW308.30 g/mol
LogP3.33
Rot. Bonds3

About N-hydroxy-3-[(5-isocyano-6-methyl-1H-benzimidazol-2-yl)oxy]benzamide

N-hydroxy-3-[(5-isocyano-6-methyl-1H-benzimidazol-2-yl)oxy]benzamide (PubChem CID 161113178) has the molecular formula C16H12N4O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is N-hydroxy-3-[(5-isocyano-6-methyl-1H-benzimidazol-2-yl)oxy]benzamide.

Molecular Properties

Compound NameN-hydroxy-3-[(5-isocyano-6-methyl-1H-benzimidazol-2-yl)oxy]benzamide
PubChem CID161113178
Molecular FormulaC16H12N4O3
Molecular Weight308.30 g/mol
Exact Mass308.09
IUPAC NameN-hydroxy-3-[(5-isocyano-6-methyl-1H-benzimidazol-2-yl)oxy]benzamide
SMILES[C-]#[N+]c1cc2nc(Oc3cccc(C(=O)NO)c3)[nH]c2cc1C
InChIInChI=1S/C16H12N4O3/c1-9-6-13-14(8-12(9)17-2)19-16(18-13)23-11-5-3-4-10(7-11)15(21)20-22/h3-8,22H,1H3,(H,18,19)(H,20,21)
InChIKeySXUUSZRWGLUNBB-UHFFFAOYSA-N
XLogP3.33
TPSA91.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1H-benzimidazol-2-yloxy)benzoic acid
CID 71564536
5-[[6-fluoro-5-[4-(2-hydroxyphenyl)phenyl]-1H-benzimidazol-2-yl]oxy]-N-hydroxy-2-methylbenzamide;5-[[6-fluoro-5-[4-(2-hydroxyphenyl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid
CID 162184758
methyl 5-[[6-chloro-5-(3-methylphenyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoate
CID 70903149
N-methyl-3-(2-methylphenoxy)benzamide
CID 143860787
5-[[6-chloro-5-(4-methylpyridin-1-ium-2-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid
CID 59267559
3-[[6-ethynyl-5-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide
CID 166595572
3-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 112691434
(5,6-dimethyl-1H-benzimidazol-2-yl) acetate
CID 175286041
N-hydroxy-2-(3-phenylphenyl)-3H-benzimidazole-5-carboxamide
CID 122690127
N-hydroxy-2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide
CID 122690256
3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-hydroxybenzamide
CID 122516842
5-[[5-chloro-6-(2-pyridin-3-ylethynyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid
CID 59267449

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[(5-isocyano-6-methyl-1H-benzimidazol-2-yl)oxy]benzamide?
The IUPAC name of N-hydroxy-3-[(5-isocyano-6-methyl-1H-benzimidazol-2-yl)oxy]benzamide (CID 161113178) is N-hydroxy-3-[(5-isocyano-6-methyl-1H-benzimidazol-2-yl)oxy]benzamide.
What is the SMILES notation for N-hydroxy-3-[(5-isocyano-6-methyl-1H-benzimidazol-2-yl)oxy]benzamide?
The canonical SMILES for N-hydroxy-3-[(5-isocyano-6-methyl-1H-benzimidazol-2-yl)oxy]benzamide is [C-]#[N+]c1cc2nc(Oc3cccc(C(=O)NO)c3)[nH]c2cc1C.
What is the InChIKey of N-hydroxy-3-[(5-isocyano-6-methyl-1H-benzimidazol-2-yl)oxy]benzamide?
The InChIKey is SXUUSZRWGLUNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O3/c1-9-6-13-14(8-12(9)17-2)19-16(18-13)23-11-5-3-4-10(7-11)15(21)20-22/h3-8,22H,1H3,(H,18,19)(H,20,21).
What are the key properties of N-hydroxy-3-[(5-isocyano-6-methyl-1H-benzimidazol-2-yl)oxy]benzamide?
N-hydroxy-3-[(5-isocyano-6-methyl-1H-benzimidazol-2-yl)oxy]benzamide has a molecular weight of 308.30 g/mol, XLogP of 3.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[(5-isocyano-6-methyl-1H-benzimidazol-2-yl)oxy]benzamide is sourced from PubChem (CID 161113178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).