N'-[2-(4-fluorophenyl)acetyl]-4-imidazol-1-ylbenzohydrazide

C18H15FN4O2 — CID 36626917

IUPACN'-[2-(4-fluorophenyl)acetyl]-4-imidazol-1-ylbenzohydrazide
SMILESO=C(Cc1ccc(F)cc1)NNC(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H15FN4O2/c19-15-5-1-13(2-6-15)11-17(24)21-22-18(25)14-3-7-16(8-4-14)23-10-9-20-12-23/h1-10,12H,11H2,(H,21,24)(H,22,25)
InChIKeyURHNBQUBCGCJSR-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.02
Rot. Bonds4

About N'-[2-(4-fluorophenyl)acetyl]-4-imidazol-1-ylbenzohydrazide

N'-[2-(4-fluorophenyl)acetyl]-4-imidazol-1-ylbenzohydrazide (PubChem CID 36626917) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is N'-[2-(4-fluorophenyl)acetyl]-4-imidazol-1-ylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-fluorophenyl)acetyl]-4-imidazol-1-ylbenzohydrazide
PubChem CID36626917
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC NameN'-[2-(4-fluorophenyl)acetyl]-4-imidazol-1-ylbenzohydrazide
SMILESO=C(Cc1ccc(F)cc1)NNC(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H15FN4O2/c19-15-5-1-13(2-6-15)11-17(24)21-22-18(25)14-3-7-16(8-4-14)23-10-9-20-12-23/h1-10,12H,11H2,(H,21,24)(H,22,25)
InChIKeyURHNBQUBCGCJSR-UHFFFAOYSA-N
XLogP2.02
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(4-fluorophenyl)-4-(4-imidazol-1-ylphenyl)but-2-ene-1,4-dione
CID 125485189
2-(4-hydroxyphenyl)-N-(4-imidazol-1-ylphenyl)acetamide
CID 78845003
4-(benzimidazol-1-yl)-N'-[2-(4-fluorophenyl)acetyl]benzohydrazide
CID 55379419
1-(4-fluorophenyl)imidazole;hydrobromide
CID 175571353
4-[[(4-imidazol-1-ylphenyl)methyl-methylamino]methyl]-N-methylbenzamide
CID 138041303
2-(4-imidazol-1-ylphenyl)acetic acid;hydrochloride
CID 122163959
2-(2-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 50847572
2-[(4-fluorophenyl)methoxy]-N-(4-imidazol-1-ylphenyl)benzamide
CID 37187296
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-imidazol-1-ylbenzamide
CID 172890573
N-(4-imidazol-1-ylphenyl)-2-(4-methylphenyl)acetamide
CID 37194021
4-imidazol-1-yl-N-propylbenzamide
CID 31533072
(E)-3-(4-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide
CID 95279011

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-fluorophenyl)acetyl]-4-imidazol-1-ylbenzohydrazide?
The IUPAC name of N'-[2-(4-fluorophenyl)acetyl]-4-imidazol-1-ylbenzohydrazide (CID 36626917) is N'-[2-(4-fluorophenyl)acetyl]-4-imidazol-1-ylbenzohydrazide.
What is the SMILES notation for N'-[2-(4-fluorophenyl)acetyl]-4-imidazol-1-ylbenzohydrazide?
The canonical SMILES for N'-[2-(4-fluorophenyl)acetyl]-4-imidazol-1-ylbenzohydrazide is O=C(Cc1ccc(F)cc1)NNC(=O)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N'-[2-(4-fluorophenyl)acetyl]-4-imidazol-1-ylbenzohydrazide?
The InChIKey is URHNBQUBCGCJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c19-15-5-1-13(2-6-15)11-17(24)21-22-18(25)14-3-7-16(8-4-14)23-10-9-20-12-23/h1-10,12H,11H2,(H,21,24)(H,22,25).
What are the key properties of N'-[2-(4-fluorophenyl)acetyl]-4-imidazol-1-ylbenzohydrazide?
N'-[2-(4-fluorophenyl)acetyl]-4-imidazol-1-ylbenzohydrazide has a molecular weight of 338.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluorophenyl)acetyl]-4-imidazol-1-ylbenzohydrazide is sourced from PubChem (CID 36626917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).