2-[4-(4-fluorophenyl)imidazol-1-yl]acetohydrazide

C11H11FN4O — CID 820076

IUPAC2-[4-(4-fluorophenyl)imidazol-1-yl]acetohydrazide
SMILESNNC(=O)Cn1cnc(-c2ccc(F)cc2)c1
InChIInChI=1S/C11H11FN4O/c12-9-3-1-8(2-4-9)10-5-16(7-14-10)6-11(17)15-13/h1-5,7H,6,13H2,(H,15,17)
InChIKeyADBWIBCOWMTJFN-UHFFFAOYSA-N
MW234.23 g/mol
LogP0.68
Rot. Bonds3

About 2-[4-(4-fluorophenyl)imidazol-1-yl]acetohydrazide

2-[4-(4-fluorophenyl)imidazol-1-yl]acetohydrazide (PubChem CID 820076) has the molecular formula C11H11FN4O and a molecular weight of 234.23 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)imidazol-1-yl]acetohydrazide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)imidazol-1-yl]acetohydrazide
PubChem CID820076
Molecular FormulaC11H11FN4O
Molecular Weight234.23 g/mol
Exact Mass234.09
IUPAC Name2-[4-(4-fluorophenyl)imidazol-1-yl]acetohydrazide
SMILESNNC(=O)Cn1cnc(-c2ccc(F)cc2)c1
InChIInChI=1S/C11H11FN4O/c12-9-3-1-8(2-4-9)10-5-16(7-14-10)6-11(17)15-13/h1-5,7H,6,13H2,(H,15,17)
InChIKeyADBWIBCOWMTJFN-UHFFFAOYSA-N
XLogP0.68
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Imazodan
CID 55918
2-(1H-benzimidazol-1-yl)acetohydrazide
CID 1540408
4-phenyl-1H-imidazole-1,2-diamine
CID 765290
1-Methyl-5-phenyl-imidazol-2-amine
CID 1132927
Imazodan Hydrochloride
CID 55917
1-(2-Amino-4-Phenylimidazol-1-Yl)-3-(2-Fluorophenyl)urea
CID 16393051
2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetohydrazide
CID 2324952
7-Methyl-2-phenylimidazo[1,2-a]pyrimidin-5-ol
CID 2763440
12-Acetyl-4-(2-fluorophenyl)-3,6,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4-trien-7-one
CID 11809547
(E)-4,5-dihydro-6-(2-(4-(1H-imidazol-1-yl) phenyl)ethenyl)-3(2h)-pyridazinone
CID 13535424
2-(4-Fluorophenyl)-7-methyl-8-pentylimidazo[1,2-a]pyrimidin-5-one
CID 118631142
6-(1-methyl-2-phenyl-1H-imidazol-4-yl)-2,3-dihydropyridazin-3-one
CID 13475881

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)imidazol-1-yl]acetohydrazide?
The IUPAC name of 2-[4-(4-fluorophenyl)imidazol-1-yl]acetohydrazide (CID 820076) is 2-[4-(4-fluorophenyl)imidazol-1-yl]acetohydrazide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)imidazol-1-yl]acetohydrazide?
The canonical SMILES for 2-[4-(4-fluorophenyl)imidazol-1-yl]acetohydrazide is NNC(=O)Cn1cnc(-c2ccc(F)cc2)c1.
What is the InChIKey of 2-[4-(4-fluorophenyl)imidazol-1-yl]acetohydrazide?
The InChIKey is ADBWIBCOWMTJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O/c12-9-3-1-8(2-4-9)10-5-16(7-14-10)6-11(17)15-13/h1-5,7H,6,13H2,(H,15,17).
What are the key properties of 2-[4-(4-fluorophenyl)imidazol-1-yl]acetohydrazide?
2-[4-(4-fluorophenyl)imidazol-1-yl]acetohydrazide has a molecular weight of 234.23 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)imidazol-1-yl]acetohydrazide is sourced from PubChem (CID 820076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).