1-[(2-amino-4-fluorophenyl)methyl]-3-methylimidazolidine-2,4,5-trione

C11H10FN3O3 — CID 64768035

IUPAC1-[(2-amino-4-fluorophenyl)methyl]-3-methylimidazolidine-2,4,5-trione
SMILESCN1C(=O)C(=O)N(Cc2ccc(F)cc2N)C1=O
InChIInChI=1S/C11H10FN3O3/c1-14-9(16)10(17)15(11(14)18)5-6-2-3-7(12)4-8(6)13/h2-4H,5,13H2,1H3
InChIKeyQWHSLLHEVNFOFV-UHFFFAOYSA-N
MW251.22 g/mol
LogP0.33
Rot. Bonds2

About 1-[(2-amino-4-fluorophenyl)methyl]-3-methylimidazolidine-2,4,5-trione

1-[(2-amino-4-fluorophenyl)methyl]-3-methylimidazolidine-2,4,5-trione (PubChem CID 64768035) has the molecular formula C11H10FN3O3 and a molecular weight of 251.22 g/mol. Its IUPAC name is 1-[(2-amino-4-fluorophenyl)methyl]-3-methylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[(2-amino-4-fluorophenyl)methyl]-3-methylimidazolidine-2,4,5-trione
PubChem CID64768035
Molecular FormulaC11H10FN3O3
Molecular Weight251.22 g/mol
Exact Mass251.07
IUPAC Name1-[(2-amino-4-fluorophenyl)methyl]-3-methylimidazolidine-2,4,5-trione
SMILESCN1C(=O)C(=O)N(Cc2ccc(F)cc2N)C1=O
InChIInChI=1S/C11H10FN3O3/c1-14-9(16)10(17)15(11(14)18)5-6-2-3-7(12)4-8(6)13/h2-4H,5,13H2,1H3
InChIKeyQWHSLLHEVNFOFV-UHFFFAOYSA-N
XLogP0.33
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[(2-amino-4-fluorophenyl)methyl]-1-methylimidazolidine-2,4-dione
CID 64768228
1-[(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-methylimidazolidine-2,4,5-trione
CID 43259791
1-[(2-amino-4-fluorophenyl)methyl]pyrrolidin-2-one
CID 64770768
2-[(2-amino-4-fluorophenyl)methyl]-6-methylpyridazin-3-one
CID 64768629
1-[(2-amino-4-fluorophenyl)methyl]azepan-2-one
CID 64769011
3-[(2-amino-4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-one
CID 64769209
1-[(2-amino-4-fluorophenyl)methyl]-5-methylazepan-2-one
CID 64770583
3-[(2-amino-4-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione
CID 64770001
1-[(2-bromo-4-fluorophenyl)methyl]-3-propan-2-ylimidazolidine-2,4,5-trione
CID 17435213
5-fluoro-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]aniline
CID 64769987
3-[(2-amino-4-fluorophenyl)methyl]-1,3-thiazol-2-one
CID 64769407
2-[(4,5-dimethylimidazol-1-yl)methyl]-5-fluoroaniline
CID 64768036

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-4-fluorophenyl)methyl]-3-methylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[(2-amino-4-fluorophenyl)methyl]-3-methylimidazolidine-2,4,5-trione (CID 64768035) is 1-[(2-amino-4-fluorophenyl)methyl]-3-methylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[(2-amino-4-fluorophenyl)methyl]-3-methylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[(2-amino-4-fluorophenyl)methyl]-3-methylimidazolidine-2,4,5-trione is CN1C(=O)C(=O)N(Cc2ccc(F)cc2N)C1=O.
What is the InChIKey of 1-[(2-amino-4-fluorophenyl)methyl]-3-methylimidazolidine-2,4,5-trione?
The InChIKey is QWHSLLHEVNFOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O3/c1-14-9(16)10(17)15(11(14)18)5-6-2-3-7(12)4-8(6)13/h2-4H,5,13H2,1H3.
What are the key properties of 1-[(2-amino-4-fluorophenyl)methyl]-3-methylimidazolidine-2,4,5-trione?
1-[(2-amino-4-fluorophenyl)methyl]-3-methylimidazolidine-2,4,5-trione has a molecular weight of 251.22 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-4-fluorophenyl)methyl]-3-methylimidazolidine-2,4,5-trione is sourced from PubChem (CID 64768035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).