(5S)-3-[(4-bromophenyl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione

C17H14BrFN2O2 — CID 52780588

IUPAC(5S)-3-[(4-bromophenyl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESC[C@@]1(c2ccccc2F)NC(=O)N(Cc2ccc(Br)cc2)C1=O
InChIInChI=1S/C17H14BrFN2O2/c1-17(13-4-2-3-5-14(13)19)15(22)21(16(23)20-17)10-11-6-8-12(18)9-7-11/h2-9H,10H2,1H3,(H,20,23)/t17-/m0/s1
InChIKeyMAYQMKZEVGTQPT-KRWDZBQOSA-N
MW377.21 g/mol
LogP3.56
Rot. Bonds3

About (5S)-3-[(4-bromophenyl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione

(5S)-3-[(4-bromophenyl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 52780588) has the molecular formula C17H14BrFN2O2 and a molecular weight of 377.21 g/mol. Its IUPAC name is (5S)-3-[(4-bromophenyl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(4-bromophenyl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione
PubChem CID52780588
Molecular FormulaC17H14BrFN2O2
Molecular Weight377.21 g/mol
Exact Mass376.02
IUPAC Name(5S)-3-[(4-bromophenyl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESC[C@@]1(c2ccccc2F)NC(=O)N(Cc2ccc(Br)cc2)C1=O
InChIInChI=1S/C17H14BrFN2O2/c1-17(13-4-2-3-5-14(13)19)15(22)21(16(23)20-17)10-11-6-8-12(18)9-7-11/h2-9H,10H2,1H3,(H,20,23)/t17-/m0/s1
InChIKeyMAYQMKZEVGTQPT-KRWDZBQOSA-N
XLogP3.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.21
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[(4R)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
CID 94798623
(5S)-5-(2-chlorophenyl)-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7180510
(5S)-5-(2-bromophenyl)-5-methyl-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 40856927
(5S)-5-(2,5-difluorophenyl)-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7801183
3-[(5-chloro-2-pyridinyl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 75524013
(5R)-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 94821877
3-[(3-bromophenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 43029260
(5R)-5-(2-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione
CID 95589593
(5R)-5-(2-chlorophenyl)-3-[(3,4-dichlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 6590877
5-(2,4-difluorophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]-5-methylimidazolidine-2,4-dione
CID 110005287
3-[(4R)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
CID 94216458
(5S)-5-(2-fluorophenyl)-5-methyl-3-phenacylimidazolidine-2,4-dione
CID 94815323

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(4-bromophenyl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(4-bromophenyl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione (CID 52780588) is (5S)-3-[(4-bromophenyl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(4-bromophenyl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(4-bromophenyl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione is C[C@@]1(c2ccccc2F)NC(=O)N(Cc2ccc(Br)cc2)C1=O.
What is the InChIKey of (5S)-3-[(4-bromophenyl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is MAYQMKZEVGTQPT-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H14BrFN2O2/c1-17(13-4-2-3-5-14(13)19)15(22)21(16(23)20-17)10-11-6-8-12(18)9-7-11/h2-9H,10H2,1H3,(H,20,23)/t17-/m0/s1.
What are the key properties of (5S)-3-[(4-bromophenyl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione?
(5S)-3-[(4-bromophenyl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 377.21 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(4-bromophenyl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 52780588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).