3-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)acetyl]imidazole-4-carbohydrazide

C18H14F2N4O2 — CID 17474621

IUPAC3-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)acetyl]imidazole-4-carbohydrazide
SMILESO=C(Cc1ccccc1F)NNC(=O)c1cncn1-c1ccc(F)cc1
InChIInChI=1S/C18H14F2N4O2/c19-13-5-7-14(8-6-13)24-11-21-10-16(24)18(26)23-22-17(25)9-12-3-1-2-4-15(12)20/h1-8,10-11H,9H2,(H,22,25)(H,23,26)
InChIKeyXPDLWRUNCVRTPC-UHFFFAOYSA-N
MW356.33 g/mol
LogP2.15
Rot. Bonds4

About 3-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)acetyl]imidazole-4-carbohydrazide

3-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)acetyl]imidazole-4-carbohydrazide (PubChem CID 17474621) has the molecular formula C18H14F2N4O2 and a molecular weight of 356.33 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)acetyl]imidazole-4-carbohydrazide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)acetyl]imidazole-4-carbohydrazide
PubChem CID17474621
Molecular FormulaC18H14F2N4O2
Molecular Weight356.33 g/mol
Exact Mass356.11
IUPAC Name3-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)acetyl]imidazole-4-carbohydrazide
SMILESO=C(Cc1ccccc1F)NNC(=O)c1cncn1-c1ccc(F)cc1
InChIInChI=1S/C18H14F2N4O2/c19-13-5-7-14(8-6-13)24-11-21-10-16(24)18(26)23-22-17(25)9-12-3-1-2-4-15(12)20/h1-8,10-11H,9H2,(H,22,25)(H,23,26)
InChIKeyXPDLWRUNCVRTPC-UHFFFAOYSA-N
XLogP2.15
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 52.15
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

N'-(2-benzylsulfanylacetyl)-3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 9418556
3-(4-fluorophenyl)-N'-[(3S)-3-phenylbutanoyl]imidazole-4-carbohydrazide
CID 40591024
N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 9158171
N'-[3-(benzenesulfonyl)propanoyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 9418557
3-(4-fluorophenyl)-N'-[3-(1H-indol-3-yl)propanoyl]imidazole-4-carbohydrazide
CID 4795823
N-(4-fluorophenyl)-2-[2-[2-[3-(4-fluorophenyl)imidazole-4-carbonyl]hydrazinyl]-2-oxoethyl]sulfanylacetamide
CID 25437345
N'-[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 9418539
ethyl N-[[3-(4-fluorophenyl)imidazole-4-carbonyl]amino]carbamate
CID 43002854
N'-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 21175320
N'-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 11941116
N-(3-aminobutyl)-3-(4-fluorophenyl)imidazole-4-carboxamide;dihydrochloride
CID 119495560
3-(4-fluorophenyl)-N'-[4-(methylsulfonylmethyl)benzoyl]imidazole-4-carbohydrazide
CID 9418541

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)acetyl]imidazole-4-carbohydrazide?
The IUPAC name of 3-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)acetyl]imidazole-4-carbohydrazide (CID 17474621) is 3-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)acetyl]imidazole-4-carbohydrazide.
What is the SMILES notation for 3-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)acetyl]imidazole-4-carbohydrazide?
The canonical SMILES for 3-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)acetyl]imidazole-4-carbohydrazide is O=C(Cc1ccccc1F)NNC(=O)c1cncn1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)acetyl]imidazole-4-carbohydrazide?
The InChIKey is XPDLWRUNCVRTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O2/c19-13-5-7-14(8-6-13)24-11-21-10-16(24)18(26)23-22-17(25)9-12-3-1-2-4-15(12)20/h1-8,10-11H,9H2,(H,22,25)(H,23,26).
What are the key properties of 3-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)acetyl]imidazole-4-carbohydrazide?
3-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)acetyl]imidazole-4-carbohydrazide has a molecular weight of 356.33 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)acetyl]imidazole-4-carbohydrazide is sourced from PubChem (CID 17474621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).