3-(4-fluorophenyl)-N'-[(E)-3-(4-prop-2-enoxyphenyl)prop-2-enoyl]imidazole-4-carbohydrazide

C22H19FN4O3 — CID 9418537

IUPAC3-(4-fluorophenyl)-N'-[(E)-3-(4-prop-2-enoxyphenyl)prop-2-enoyl]imidazole-4-carbohydrazide
SMILESC=CCOc1ccc(/C=C/C(=O)NNC(=O)c2cncn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C22H19FN4O3/c1-2-13-30-19-10-3-16(4-11-19)5-12-21(28)25-26-22(29)20-14-24-15-27(20)18-8-6-17(23)7-9-18/h2-12,14-15H,1,13H2,(H,25,28)(H,26,29)/b12-5+
InChIKeyHOEODBHFDJACJW-LFYBBSHMSA-N
MW406.42 g/mol
LogP3.05
Rot. Bonds7

About 3-(4-fluorophenyl)-N'-[(E)-3-(4-prop-2-enoxyphenyl)prop-2-enoyl]imidazole-4-carbohydrazide

3-(4-fluorophenyl)-N'-[(E)-3-(4-prop-2-enoxyphenyl)prop-2-enoyl]imidazole-4-carbohydrazide (PubChem CID 9418537) has the molecular formula C22H19FN4O3 and a molecular weight of 406.42 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N'-[(E)-3-(4-prop-2-enoxyphenyl)prop-2-enoyl]imidazole-4-carbohydrazide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N'-[(E)-3-(4-prop-2-enoxyphenyl)prop-2-enoyl]imidazole-4-carbohydrazide
PubChem CID9418537
Molecular FormulaC22H19FN4O3
Molecular Weight406.42 g/mol
Exact Mass406.14
IUPAC Name3-(4-fluorophenyl)-N'-[(E)-3-(4-prop-2-enoxyphenyl)prop-2-enoyl]imidazole-4-carbohydrazide
SMILESC=CCOc1ccc(/C=C/C(=O)NNC(=O)c2cncn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C22H19FN4O3/c1-2-13-30-19-10-3-16(4-11-19)5-12-21(28)25-26-22(29)20-14-24-15-27(20)18-8-6-17(23)7-9-18/h2-12,14-15H,1,13H2,(H,25,28)(H,26,29)/b12-5+
InChIKeyHOEODBHFDJACJW-LFYBBSHMSA-N
XLogP3.05
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-2-prop-2-enoxybenzohydrazide
CID 6233291
[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 16520420
N'-[3-(4-methoxyphenyl)prop-2-enoyl]-2-prop-2-enoxybenzohydrazide
CID 4929146
3-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)acetyl]imidazole-4-carbohydrazide
CID 17474621
N'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-prop-2-enoxybenzohydrazide
CID 6232483
N-(4-fluorophenyl)-2-[2-[2-[3-(4-fluorophenyl)imidazole-4-carbonyl]hydrazinyl]-2-oxoethyl]sulfanylacetamide
CID 25437345
(E)-N'-[2-(2-oxo-1-pyridinyl)acetyl]-3-(4-prop-2-enoxyphenyl)prop-2-enehydrazide
CID 9078045
(E)-3-(4-fluorophenyl)-N-[[(2-prop-2-enoxybenzoyl)amino]carbamothioyl]prop-2-enamide
CID 6233415
3-(4-fluorophenyl)-N'-[2-(4-methoxyphenoxy)acetyl]prop-2-enehydrazide
CID 4294808
(E)-N'-[2-(5-phenyltetrazol-2-yl)acetyl]-3-(4-prop-2-enoxyphenyl)prop-2-enehydrazide
CID 9468250
1-(2,4-difluorophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one
CID 75849641
N'-[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-4-fluorobenzohydrazide
CID 7946032

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N'-[(E)-3-(4-prop-2-enoxyphenyl)prop-2-enoyl]imidazole-4-carbohydrazide?
The IUPAC name of 3-(4-fluorophenyl)-N'-[(E)-3-(4-prop-2-enoxyphenyl)prop-2-enoyl]imidazole-4-carbohydrazide (CID 9418537) is 3-(4-fluorophenyl)-N'-[(E)-3-(4-prop-2-enoxyphenyl)prop-2-enoyl]imidazole-4-carbohydrazide.
What is the SMILES notation for 3-(4-fluorophenyl)-N'-[(E)-3-(4-prop-2-enoxyphenyl)prop-2-enoyl]imidazole-4-carbohydrazide?
The canonical SMILES for 3-(4-fluorophenyl)-N'-[(E)-3-(4-prop-2-enoxyphenyl)prop-2-enoyl]imidazole-4-carbohydrazide is C=CCOc1ccc(/C=C/C(=O)NNC(=O)c2cncn2-c2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N'-[(E)-3-(4-prop-2-enoxyphenyl)prop-2-enoyl]imidazole-4-carbohydrazide?
The InChIKey is HOEODBHFDJACJW-LFYBBSHMSA-N. The full InChI is InChI=1S/C22H19FN4O3/c1-2-13-30-19-10-3-16(4-11-19)5-12-21(28)25-26-22(29)20-14-24-15-27(20)18-8-6-17(23)7-9-18/h2-12,14-15H,1,13H2,(H,25,28)(H,26,29)/b12-5+.
What are the key properties of 3-(4-fluorophenyl)-N'-[(E)-3-(4-prop-2-enoxyphenyl)prop-2-enoyl]imidazole-4-carbohydrazide?
3-(4-fluorophenyl)-N'-[(E)-3-(4-prop-2-enoxyphenyl)prop-2-enoyl]imidazole-4-carbohydrazide has a molecular weight of 406.42 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N'-[(E)-3-(4-prop-2-enoxyphenyl)prop-2-enoyl]imidazole-4-carbohydrazide is sourced from PubChem (CID 9418537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).