N-hydroxy-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide

C12H10F3N3O2 — CID 122698167

IUPACN-hydroxy-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide
SMILESCc1cn(-c2cc(C(=O)NO)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C12H10F3N3O2/c1-7-5-18(6-16-7)10-3-8(11(19)17-20)2-9(4-10)12(13,14)15/h2-6,20H,1H3,(H,17,19)
InChIKeyKOSFXLZJCCLSJQ-UHFFFAOYSA-N
MW285.23 g/mol
LogP2.32
Rot. Bonds2

About N-hydroxy-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide

N-hydroxy-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide (PubChem CID 122698167) has the molecular formula C12H10F3N3O2 and a molecular weight of 285.23 g/mol. Its IUPAC name is N-hydroxy-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-hydroxy-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide
PubChem CID122698167
Molecular FormulaC12H10F3N3O2
Molecular Weight285.23 g/mol
Exact Mass285.07
IUPAC NameN-hydroxy-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide
SMILESCc1cn(-c2cc(C(=O)NO)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C12H10F3N3O2/c1-7-5-18(6-16-7)10-3-8(11(19)17-20)2-9(4-10)12(13,14)15/h2-6,20H,1H3,(H,17,19)
InChIKeyKOSFXLZJCCLSJQ-UHFFFAOYSA-N
XLogP2.32
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 52.32
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide?
The IUPAC name of N-hydroxy-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide (CID 122698167) is N-hydroxy-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-hydroxy-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-hydroxy-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide is Cc1cn(-c2cc(C(=O)NO)cc(C(F)(F)F)c2)cn1.
What is the InChIKey of N-hydroxy-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide?
The InChIKey is KOSFXLZJCCLSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2/c1-7-5-18(6-16-7)10-3-8(11(19)17-20)2-9(4-10)12(13,14)15/h2-6,20H,1H3,(H,17,19).
What are the key properties of N-hydroxy-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide?
N-hydroxy-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide has a molecular weight of 285.23 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 122698167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).