N'-hydroxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzenecarboximidamide

C15H11F3N4O — CID 137187151

IUPACN'-hydroxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1
InChIInChI=1S/C15H11F3N4O/c16-15(17,18)10-5-6-11-12(7-10)21-14(20-11)9-3-1-8(2-4-9)13(19)22-23/h1-7,23H,(H2,19,22)(H,20,21)
InChIKeyXGJCSQXRHBNQGJ-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.34
Rot. Bonds2

About N'-hydroxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzenecarboximidamide

N'-hydroxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzenecarboximidamide (PubChem CID 137187151) has the molecular formula C15H11F3N4O and a molecular weight of 320.27 g/mol. Its IUPAC name is N'-hydroxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzenecarboximidamide
PubChem CID137187151
Molecular FormulaC15H11F3N4O
Molecular Weight320.27 g/mol
Exact Mass320.09
IUPAC NameN'-hydroxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1
InChIInChI=1S/C15H11F3N4O/c16-15(17,18)10-5-6-11-12(7-10)21-14(20-11)9-3-1-8(2-4-9)13(19)22-23/h1-7,23H,(H2,19,22)(H,20,21)
InChIKeyXGJCSQXRHBNQGJ-UHFFFAOYSA-N
XLogP3.34
TPSA87.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 71731138
N'-hydroxy-2-[4-[6-(N'-hydroxycarbamimidoyl)-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazole-5-carboximidamide
CID 147189272
4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzonitrile
CID 112730245
molecular hydrogen;4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline
CID 161338412
2-[4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 22097796
N-propan-2-yl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide
CID 4915116
N-(2-hydroxyethyl)-4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 71731266
5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-amine
CID 81455369
2-fluoro-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline
CID 81455212
2-(3,5-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455089
2-(3,4-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455549
2-(3,5-dichlorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455237

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzenecarboximidamide (CID 137187151) is N'-hydroxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzenecarboximidamide is N/C(=N/O)c1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1.
What is the InChIKey of N'-hydroxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzenecarboximidamide?
The InChIKey is XGJCSQXRHBNQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O/c16-15(17,18)10-5-6-11-12(7-10)21-14(20-11)9-3-1-8(2-4-9)13(19)22-23/h1-7,23H,(H2,19,22)(H,20,21).
What are the key properties of N'-hydroxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzenecarboximidamide?
N'-hydroxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzenecarboximidamide has a molecular weight of 320.27 g/mol, XLogP of 3.34, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzenecarboximidamide is sourced from PubChem (CID 137187151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).