2-(2-bromo-4-pyridinyl)-1-(2,6-difluorobenzoyl)-3-hydroxyimidazolidin-4-one

C15H10BrF2N3O3 — CID 130405700

IUPAC2-(2-bromo-4-pyridinyl)-1-(2,6-difluorobenzoyl)-3-hydroxyimidazolidin-4-one
SMILESO=C1CN(C(=O)c2c(F)cccc2F)C(c2ccnc(Br)c2)N1O
InChIInChI=1S/C15H10BrF2N3O3/c16-11-6-8(4-5-19-11)14-20(7-12(22)21(14)24)15(23)13-9(17)2-1-3-10(13)18/h1-6,14,24H,7H2
InChIKeyKHZJPOQHFDQHSY-UHFFFAOYSA-N
MW398.16 g/mol
LogP2.49
Rot. Bonds2

About 2-(2-bromo-4-pyridinyl)-1-(2,6-difluorobenzoyl)-3-hydroxyimidazolidin-4-one

2-(2-bromo-4-pyridinyl)-1-(2,6-difluorobenzoyl)-3-hydroxyimidazolidin-4-one (PubChem CID 130405700) has the molecular formula C15H10BrF2N3O3 and a molecular weight of 398.16 g/mol. Its IUPAC name is 2-(2-bromo-4-pyridinyl)-1-(2,6-difluorobenzoyl)-3-hydroxyimidazolidin-4-one.

Molecular Properties

Compound Name2-(2-bromo-4-pyridinyl)-1-(2,6-difluorobenzoyl)-3-hydroxyimidazolidin-4-one
PubChem CID130405700
Molecular FormulaC15H10BrF2N3O3
Molecular Weight398.16 g/mol
Exact Mass396.99
IUPAC Name2-(2-bromo-4-pyridinyl)-1-(2,6-difluorobenzoyl)-3-hydroxyimidazolidin-4-one
SMILESO=C1CN(C(=O)c2c(F)cccc2F)C(c2ccnc(Br)c2)N1O
InChIInChI=1S/C15H10BrF2N3O3/c16-11-6-8(4-5-19-11)14-20(7-12(22)21(14)24)15(23)13-9(17)2-1-3-10(13)18/h1-6,14,24H,7H2
InChIKeyKHZJPOQHFDQHSY-UHFFFAOYSA-N
XLogP2.49
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.16
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-difluorobenzoyl)-3-hydroxy-2-(3-nitrophenyl)imidazolidin-4-one
CID 130405719
2-(3-bromophenyl)-1-(2,6-difluoro-4-methylbenzoyl)-3-hydroxyimidazolidin-4-one
CID 130405721
2-(3-bromophenyl)-1-(2,6-difluoro-4-methoxybenzoyl)-3-hydroxyimidazolidin-4-one
CID 130405765
3-[1-(2-chloro-6-fluorobenzoyl)-3-hydroxy-4-oxoimidazolidin-2-yl]benzonitrile
CID 130405812
N-[3-[2-(3-bromophenyl)-3-hydroxy-4-oxoimidazolidine-1-carbonyl]-2,4-difluorophenyl]acetamide
CID 137497796
N-[3-[2-(3-bromophenyl)-3-hydroxy-4-oxoimidazolidine-1-carbonyl]-2,4-difluorophenyl]methanesulfonamide
CID 137497780
1-(2-fluorobenzoyl)-3-hydroxy-2-(3-iodophenyl)imidazolidin-4-one
CID 130405730
2-(3-bromo-4-fluorophenyl)-1-(cyclopropanecarbonyl)-3-hydroxyimidazolidin-4-one
CID 130405761
(2-bromo-6-fluorophenyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 114559410
(2S)-1-(2-bromo-6-fluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 104939537
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(2-bromo-6-fluorophenyl)methanone
CID 115678205
(2-bromo-6-fluorophenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 104939562

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-pyridinyl)-1-(2,6-difluorobenzoyl)-3-hydroxyimidazolidin-4-one?
The IUPAC name of 2-(2-bromo-4-pyridinyl)-1-(2,6-difluorobenzoyl)-3-hydroxyimidazolidin-4-one (CID 130405700) is 2-(2-bromo-4-pyridinyl)-1-(2,6-difluorobenzoyl)-3-hydroxyimidazolidin-4-one.
What is the SMILES notation for 2-(2-bromo-4-pyridinyl)-1-(2,6-difluorobenzoyl)-3-hydroxyimidazolidin-4-one?
The canonical SMILES for 2-(2-bromo-4-pyridinyl)-1-(2,6-difluorobenzoyl)-3-hydroxyimidazolidin-4-one is O=C1CN(C(=O)c2c(F)cccc2F)C(c2ccnc(Br)c2)N1O.
What is the InChIKey of 2-(2-bromo-4-pyridinyl)-1-(2,6-difluorobenzoyl)-3-hydroxyimidazolidin-4-one?
The InChIKey is KHZJPOQHFDQHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF2N3O3/c16-11-6-8(4-5-19-11)14-20(7-12(22)21(14)24)15(23)13-9(17)2-1-3-10(13)18/h1-6,14,24H,7H2.
What are the key properties of 2-(2-bromo-4-pyridinyl)-1-(2,6-difluorobenzoyl)-3-hydroxyimidazolidin-4-one?
2-(2-bromo-4-pyridinyl)-1-(2,6-difluorobenzoyl)-3-hydroxyimidazolidin-4-one has a molecular weight of 398.16 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-pyridinyl)-1-(2,6-difluorobenzoyl)-3-hydroxyimidazolidin-4-one is sourced from PubChem (CID 130405700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).