2-(4-fluoroanilino)-1-prop-2-enyl-4H-imidazol-5-one

C12H12FN3O — CID 3214092

IUPAC2-(4-fluoroanilino)-1-prop-2-enyl-4H-imidazol-5-one
SMILESC=CCN1C(=O)CN=C1Nc1ccc(F)cc1
InChIInChI=1S/C12H12FN3O/c1-2-7-16-11(17)8-14-12(16)15-10-5-3-9(13)4-6-10/h2-6H,1,7-8H2,(H,14,15)
InChIKeyITTHKCMNUKQCDP-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.62
Rot. Bonds3

About 2-(4-fluoroanilino)-1-prop-2-enyl-4H-imidazol-5-one

2-(4-fluoroanilino)-1-prop-2-enyl-4H-imidazol-5-one (PubChem CID 3214092) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-1-prop-2-enyl-4H-imidazol-5-one.

Molecular Properties

Compound Name2-(4-fluoroanilino)-1-prop-2-enyl-4H-imidazol-5-one
PubChem CID3214092
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name2-(4-fluoroanilino)-1-prop-2-enyl-4H-imidazol-5-one
SMILESC=CCN1C(=O)CN=C1Nc1ccc(F)cc1
InChIInChI=1S/C12H12FN3O/c1-2-7-16-11(17)8-14-12(16)15-10-5-3-9(13)4-6-10/h2-6H,1,7-8H2,(H,14,15)
InChIKeyITTHKCMNUKQCDP-UHFFFAOYSA-N
XLogP1.62
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Phenylimidazolidine-2,4-dione
CID 227930
1-Phenylimidazolidine-2,4-dione
CID 570576
2-(Methylanilino)-4-pyrimidinol
CID 824717
N-(4-fluorophenyl)-2-(pyrrolidin-1-yl)acetamide
CID 934518
6-Amino-2-(4-phenyl-1-piperazinyl)-4-pyrimidinol
CID 135400065
Azolimine
CID 38684
1,1-Dibutyl-3-(4-fluorophenyl)urea
CID 4282937
N-(4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 2731293
N-(ethylcarbamoyl)-2-(N-methylanilino)acetamide
CID 2608330
N-(4-fluorophenyl)-N'-[2-(2-methyl-4,5-dihydro-1H-imidazol-1-yl)ethyl]urea
CID 2813976
N-[(2-fluorophenyl)carbamoyl]-2-piperidin-1-ylacetamide
CID 8894654
1-(3-chlorophenyl)-3-(1-methyl-5-oxo-4H-imidazol-2-yl)urea
CID 44408210

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-1-prop-2-enyl-4H-imidazol-5-one?
The IUPAC name of 2-(4-fluoroanilino)-1-prop-2-enyl-4H-imidazol-5-one (CID 3214092) is 2-(4-fluoroanilino)-1-prop-2-enyl-4H-imidazol-5-one.
What is the SMILES notation for 2-(4-fluoroanilino)-1-prop-2-enyl-4H-imidazol-5-one?
The canonical SMILES for 2-(4-fluoroanilino)-1-prop-2-enyl-4H-imidazol-5-one is C=CCN1C(=O)CN=C1Nc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluoroanilino)-1-prop-2-enyl-4H-imidazol-5-one?
The InChIKey is ITTHKCMNUKQCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-2-7-16-11(17)8-14-12(16)15-10-5-3-9(13)4-6-10/h2-6H,1,7-8H2,(H,14,15).
What are the key properties of 2-(4-fluoroanilino)-1-prop-2-enyl-4H-imidazol-5-one?
2-(4-fluoroanilino)-1-prop-2-enyl-4H-imidazol-5-one has a molecular weight of 233.25 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-1-prop-2-enyl-4H-imidazol-5-one is sourced from PubChem (CID 3214092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).