1-(2-fluorobenzoyl)-3-hydroxy-2-(3-iodophenyl)imidazolidin-4-one

C16H12FIN2O3 — CID 130405730

IUPAC1-(2-fluorobenzoyl)-3-hydroxy-2-(3-iodophenyl)imidazolidin-4-one
SMILESO=C1CN(C(=O)c2ccccc2F)C(c2cccc(I)c2)N1O
InChIInChI=1S/C16H12FIN2O3/c17-13-7-2-1-6-12(13)16(22)19-9-14(21)20(23)15(19)10-4-3-5-11(18)8-10/h1-8,15,23H,9H2
InChIKeyKBKOETYQPUIZRL-UHFFFAOYSA-N
MW426.19 g/mol
LogP2.80
Rot. Bonds2

About 1-(2-fluorobenzoyl)-3-hydroxy-2-(3-iodophenyl)imidazolidin-4-one

1-(2-fluorobenzoyl)-3-hydroxy-2-(3-iodophenyl)imidazolidin-4-one (PubChem CID 130405730) has the molecular formula C16H12FIN2O3 and a molecular weight of 426.19 g/mol. Its IUPAC name is 1-(2-fluorobenzoyl)-3-hydroxy-2-(3-iodophenyl)imidazolidin-4-one.

Molecular Properties

Compound Name1-(2-fluorobenzoyl)-3-hydroxy-2-(3-iodophenyl)imidazolidin-4-one
PubChem CID130405730
Molecular FormulaC16H12FIN2O3
Molecular Weight426.19 g/mol
Exact Mass425.99
IUPAC Name1-(2-fluorobenzoyl)-3-hydroxy-2-(3-iodophenyl)imidazolidin-4-one
SMILESO=C1CN(C(=O)c2ccccc2F)C(c2cccc(I)c2)N1O
InChIInChI=1S/C16H12FIN2O3/c17-13-7-2-1-6-12(13)16(22)19-9-14(21)20(23)15(19)10-4-3-5-11(18)8-10/h1-8,15,23H,9H2
InChIKeyKBKOETYQPUIZRL-UHFFFAOYSA-N
XLogP2.80
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.19
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(2-fluorobenzoyl)-3-hydroxy-4-oxoimidazolidin-2-yl]benzonitrile
CID 130405873
2-(3-bromophenyl)-1-(2,6-difluoro-4-methylbenzoyl)-3-hydroxyimidazolidin-4-one
CID 130405721
2-(2-bromo-4-pyridinyl)-1-(2,6-difluorobenzoyl)-3-hydroxyimidazolidin-4-one
CID 130405700
2-(3-bromophenyl)-1-(2,6-difluoro-4-methoxybenzoyl)-3-hydroxyimidazolidin-4-one
CID 130405765
N-[3-[2-(3-bromophenyl)-3-hydroxy-4-oxoimidazolidine-1-carbonyl]-2,4-difluorophenyl]methanesulfonamide
CID 137497780
(2-fluorophenyl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747079
N-[3-[2-(3-bromophenyl)-3-hydroxy-4-oxoimidazolidine-1-carbonyl]-2,4-difluorophenyl]acetamide
CID 137497796
(2-fluorophenyl)-(3-iodophenyl)methanone
CID 24722822
1-(2-fluorobenzoyl)piperidine-2,6-dione
CID 176734480
(2-fluorophenyl)-(2-methyl-1,4-diazepan-1-yl)methanone
CID 82243404
3,4-dihydro-1H-isoquinolin-2-yl-(2-fluorophenyl)methanone
CID 669198
1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 60659210

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorobenzoyl)-3-hydroxy-2-(3-iodophenyl)imidazolidin-4-one?
The IUPAC name of 1-(2-fluorobenzoyl)-3-hydroxy-2-(3-iodophenyl)imidazolidin-4-one (CID 130405730) is 1-(2-fluorobenzoyl)-3-hydroxy-2-(3-iodophenyl)imidazolidin-4-one.
What is the SMILES notation for 1-(2-fluorobenzoyl)-3-hydroxy-2-(3-iodophenyl)imidazolidin-4-one?
The canonical SMILES for 1-(2-fluorobenzoyl)-3-hydroxy-2-(3-iodophenyl)imidazolidin-4-one is O=C1CN(C(=O)c2ccccc2F)C(c2cccc(I)c2)N1O.
What is the InChIKey of 1-(2-fluorobenzoyl)-3-hydroxy-2-(3-iodophenyl)imidazolidin-4-one?
The InChIKey is KBKOETYQPUIZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FIN2O3/c17-13-7-2-1-6-12(13)16(22)19-9-14(21)20(23)15(19)10-4-3-5-11(18)8-10/h1-8,15,23H,9H2.
What are the key properties of 1-(2-fluorobenzoyl)-3-hydroxy-2-(3-iodophenyl)imidazolidin-4-one?
1-(2-fluorobenzoyl)-3-hydroxy-2-(3-iodophenyl)imidazolidin-4-one has a molecular weight of 426.19 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorobenzoyl)-3-hydroxy-2-(3-iodophenyl)imidazolidin-4-one is sourced from PubChem (CID 130405730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).