[4-[(4S)-2,5-dioxoimidazolidin-4-yl]phenyl]boronic acid

C9H9BN2O4 — CID 99773063

IUPAC[4-[(4S)-2,5-dioxoimidazolidin-4-yl]phenyl]boronic acid
SMILESO=C1NC(=O)[C@H](c2ccc(B(O)O)cc2)N1
InChIInChI=1S/C9H9BN2O4/c13-8-7(11-9(14)12-8)5-1-3-6(4-2-5)10(15)16/h1-4,7,15-16H,(H2,11,12,13,14)/t7-/m0/s1
InChIKeySBVZPLAXWAZNFU-ZETCQYMHSA-N
MW219.99 g/mol
LogP-1.75
Rot. Bonds2

About [4-[(4S)-2,5-dioxoimidazolidin-4-yl]phenyl]boronic acid

[4-[(4S)-2,5-dioxoimidazolidin-4-yl]phenyl]boronic acid (PubChem CID 99773063) has the molecular formula C9H9BN2O4 and a molecular weight of 219.99 g/mol. Its IUPAC name is [4-[(4S)-2,5-dioxoimidazolidin-4-yl]phenyl]boronic acid.

Molecular Properties

Compound Name[4-[(4S)-2,5-dioxoimidazolidin-4-yl]phenyl]boronic acid
PubChem CID99773063
Molecular FormulaC9H9BN2O4
Molecular Weight219.99 g/mol
Exact Mass220.07
IUPAC Name[4-[(4S)-2,5-dioxoimidazolidin-4-yl]phenyl]boronic acid
SMILESO=C1NC(=O)[C@H](c2ccc(B(O)O)cc2)N1
InChIInChI=1S/C9H9BN2O4/c13-8-7(11-9(14)12-8)5-1-3-6(4-2-5)10(15)16/h1-4,7,15-16H,(H2,11,12,13,14)/t7-/m0/s1
InChIKeySBVZPLAXWAZNFU-ZETCQYMHSA-N
XLogP-1.75
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.99
LogP ≤ 5-1.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-hydroxyphenyl)imidazolidine-2,4-dione
CID 159859205
[4-(2,5-dioxo-1,3,4,6,7,8-hexahydroquinazolin-4-yl)phenyl]boronic acid
CID 102096907
5-phenyl-(411C)1,3-diazolidine-2,4-dione
CID 90678716
5-(4-phenylphenyl)imidazolidine-2,4-dione
CID 16788632
5-(4-ethylphenyl)imidazolidine-2,4-dione
CID 60693099
(5R)-5-[4-(1,3-dihydroxypropan-2-yloxy)phenyl]imidazolidine-2,4-dione
CID 141182500
5-(4-pyrrolidin-1-ylphenyl)imidazolidine-2,4-dione
CID 70596915
1-(4-chlorophenyl)-3-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]urea
CID 110747582
(5S)-5-(4-ethoxyphenyl)imidazolidine-2,4-dione
CID 708719
(5R)-5-[4-(cyclopropylmethoxy)phenyl]imidazolidine-2,4-dione
CID 141182513
(5R)-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 94042985
5-(3-bromo-4-methylphenyl)imidazolidine-2,4-dione
CID 105401742

Frequently Asked Questions

What is the IUPAC name of [4-[(4S)-2,5-dioxoimidazolidin-4-yl]phenyl]boronic acid?
The IUPAC name of [4-[(4S)-2,5-dioxoimidazolidin-4-yl]phenyl]boronic acid (CID 99773063) is [4-[(4S)-2,5-dioxoimidazolidin-4-yl]phenyl]boronic acid.
What is the SMILES notation for [4-[(4S)-2,5-dioxoimidazolidin-4-yl]phenyl]boronic acid?
The canonical SMILES for [4-[(4S)-2,5-dioxoimidazolidin-4-yl]phenyl]boronic acid is O=C1NC(=O)[C@H](c2ccc(B(O)O)cc2)N1.
What is the InChIKey of [4-[(4S)-2,5-dioxoimidazolidin-4-yl]phenyl]boronic acid?
The InChIKey is SBVZPLAXWAZNFU-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H9BN2O4/c13-8-7(11-9(14)12-8)5-1-3-6(4-2-5)10(15)16/h1-4,7,15-16H,(H2,11,12,13,14)/t7-/m0/s1.
What are the key properties of [4-[(4S)-2,5-dioxoimidazolidin-4-yl]phenyl]boronic acid?
[4-[(4S)-2,5-dioxoimidazolidin-4-yl]phenyl]boronic acid has a molecular weight of 219.99 g/mol, XLogP of -1.75, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4S)-2,5-dioxoimidazolidin-4-yl]phenyl]boronic acid is sourced from PubChem (CID 99773063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).