3-(4-fluorophenyl)imidazole-4-carbohydrazide

C10H9FN4O — CID 5092120

IUPAC3-(4-fluorophenyl)imidazole-4-carbohydrazide
SMILESNNC(=O)c1cncn1-c1ccc(F)cc1
InChIInChI=1S/C10H9FN4O/c11-7-1-3-8(4-2-7)15-6-13-5-9(15)10(16)14-12/h1-6H,12H2,(H,14,16)
InChIKeyZWCCBSUUUFLVGK-UHFFFAOYSA-N
MW220.21 g/mol
LogP0.61
Rot. Bonds2

About 3-(4-fluorophenyl)imidazole-4-carbohydrazide

3-(4-fluorophenyl)imidazole-4-carbohydrazide (PubChem CID 5092120) has the molecular formula C10H9FN4O and a molecular weight of 220.21 g/mol. Its IUPAC name is 3-(4-fluorophenyl)imidazole-4-carbohydrazide.

Molecular Properties

Compound Name3-(4-fluorophenyl)imidazole-4-carbohydrazide
PubChem CID5092120
Molecular FormulaC10H9FN4O
Molecular Weight220.21 g/mol
Exact Mass220.08
IUPAC Name3-(4-fluorophenyl)imidazole-4-carbohydrazide
SMILESNNC(=O)c1cncn1-c1ccc(F)cc1
InChIInChI=1S/C10H9FN4O/c11-7-1-3-8(4-2-7)15-6-13-5-9(15)10(16)14-12/h1-6H,12H2,(H,14,16)
InChIKeyZWCCBSUUUFLVGK-UHFFFAOYSA-N
XLogP0.61
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 50.61
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

ethyl N-[[3-(4-fluorophenyl)imidazole-4-carbonyl]amino]carbamate
CID 43002854
2-methoxyethyl 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 55475099
N-[(4-carbamoylphenyl)methyl]-3-(4-fluorophenyl)imidazole-4-carboxamide
CID 47007581
N-(3-aminobutyl)-3-(4-fluorophenyl)imidazole-4-carboxamide;dihydrochloride
CID 119495560
3-(4-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]imidazole-4-carboxamide;dihydrochloride
CID 120943165
3-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)acetyl]imidazole-4-carbohydrazide
CID 17474621
N-(4-fluorophenyl)-2-[2-[2-[3-(4-fluorophenyl)imidazole-4-carbonyl]hydrazinyl]-2-oxoethyl]sulfanylacetamide
CID 25437345
3-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]imidazole-4-carboxamide
CID 39949661
N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 9158171
N'-(2-benzylsulfanylacetyl)-3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 9418556
3-(4-fluorophenyl)-N'-[4-(methylsulfonylmethyl)benzoyl]imidazole-4-carbohydrazide
CID 9418541
3-(4-fluorophenyl)-N-(4-morpholin-4-ylphenyl)imidazole-4-carboxamide
CID 17461227

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)imidazole-4-carbohydrazide?
The IUPAC name of 3-(4-fluorophenyl)imidazole-4-carbohydrazide (CID 5092120) is 3-(4-fluorophenyl)imidazole-4-carbohydrazide.
What is the SMILES notation for 3-(4-fluorophenyl)imidazole-4-carbohydrazide?
The canonical SMILES for 3-(4-fluorophenyl)imidazole-4-carbohydrazide is NNC(=O)c1cncn1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)imidazole-4-carbohydrazide?
The InChIKey is ZWCCBSUUUFLVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O/c11-7-1-3-8(4-2-7)15-6-13-5-9(15)10(16)14-12/h1-6H,12H2,(H,14,16).
What are the key properties of 3-(4-fluorophenyl)imidazole-4-carbohydrazide?
3-(4-fluorophenyl)imidazole-4-carbohydrazide has a molecular weight of 220.21 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)imidazole-4-carbohydrazide is sourced from PubChem (CID 5092120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).