N-hydroxy-2-[2-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide

C15H10F3N3O2 — CID 122690152

IUPACN-hydroxy-2-[2-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NO)c1ccc2nc(-c3ccccc3C(F)(F)F)[nH]c2c1
InChIInChI=1S/C15H10F3N3O2/c16-15(17,18)10-4-2-1-3-9(10)13-19-11-6-5-8(14(22)21-23)7-12(11)20-13/h1-7,23H,(H,19,20)(H,21,22)
InChIKeyGBJUULAYFXKVRP-UHFFFAOYSA-N
MW321.26 g/mol
LogP3.37
Rot. Bonds2

About N-hydroxy-2-[2-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide

N-hydroxy-2-[2-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 122690152) has the molecular formula C15H10F3N3O2 and a molecular weight of 321.26 g/mol. Its IUPAC name is N-hydroxy-2-[2-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[2-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID122690152
Molecular FormulaC15H10F3N3O2
Molecular Weight321.26 g/mol
Exact Mass321.07
IUPAC NameN-hydroxy-2-[2-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NO)c1ccc2nc(-c3ccccc3C(F)(F)F)[nH]c2c1
InChIInChI=1S/C15H10F3N3O2/c16-15(17,18)10-4-2-1-3-9(10)13-19-11-6-5-8(14(22)21-23)7-12(11)20-13/h1-7,23H,(H,19,20)(H,21,22)
InChIKeyGBJUULAYFXKVRP-UHFFFAOYSA-N
XLogP3.37
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

2-(2-chlorophenyl)-N-hydroxy-3H-benzimidazole-5-carboxamide
CID 122690291
N-hydroxy-2-(2-phenylphenyl)-3H-benzimidazole-5-carboxamide
CID 122690172
N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 122690134
2-[2-(2-ethoxyethoxy)phenyl]-N-hydroxy-3H-benzimidazole-5-carboxamide
CID 122690155
N-hydroxy-2-(3-phenylphenyl)-3H-benzimidazole-5-carboxamide
CID 122690127
N-hydroxy-2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide
CID 122690256
2-(4-tert-butylphenyl)-N-hydroxy-3H-benzimidazole-5-carboxamide
CID 122690183
2-[4-(3-chlorophenyl)phenyl]-N-hydroxy-3H-benzimidazole-5-carboxamide
CID 122690329
N-hydroxy-2-[5-(methoxyamino)thiophen-2-yl]-3H-benzimidazole-5-carboxamide
CID 146582273
2-[5-(3-chlorophenyl)furan-2-yl]-N-hydroxy-3H-benzimidazole-5-carboxamide
CID 122690364
3-[[6-ethynyl-5-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide
CID 166595572
2-phenyl-3H-benzimidazole-5-carbohydrazide
CID 17010632

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[2-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-hydroxy-2-[2-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide (CID 122690152) is N-hydroxy-2-[2-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[2-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[2-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide is O=C(NO)c1ccc2nc(-c3ccccc3C(F)(F)F)[nH]c2c1.
What is the InChIKey of N-hydroxy-2-[2-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is GBJUULAYFXKVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2/c16-15(17,18)10-4-2-1-3-9(10)13-19-11-6-5-8(14(22)21-23)7-12(11)20-13/h1-7,23H,(H,19,20)(H,21,22).
What are the key properties of N-hydroxy-2-[2-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide?
N-hydroxy-2-[2-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 321.26 g/mol, XLogP of 3.37, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[2-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 122690152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).