(5R)-3-[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl]-5-methyl-5-phenylimidazolidine-2,4-dione

C19H17BrN2O3 — CID 2461066

IUPAC(5R)-3-[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESC[C@H](C(=O)c1ccc(Br)cc1)N1C(=O)N[C@](C)(c2ccccc2)C1=O
InChIInChI=1S/C19H17BrN2O3/c1-12(16(23)13-8-10-15(20)11-9-13)22-17(24)19(2,21-18(22)25)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,21,25)/t12-,19-/m1/s1
InChIKeyGBTGKBAJZZNYKF-CWTRNNRKSA-N
MW401.26 g/mol
LogP3.49
Rot. Bonds4

About (5R)-3-[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl]-5-methyl-5-phenylimidazolidine-2,4-dione

(5R)-3-[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl]-5-methyl-5-phenylimidazolidine-2,4-dione (PubChem CID 2461066) has the molecular formula C19H17BrN2O3 and a molecular weight of 401.26 g/mol. Its IUPAC name is (5R)-3-[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl]-5-methyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl]-5-methyl-5-phenylimidazolidine-2,4-dione
PubChem CID2461066
Molecular FormulaC19H17BrN2O3
Molecular Weight401.26 g/mol
Exact Mass400.04
IUPAC Name(5R)-3-[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESC[C@H](C(=O)c1ccc(Br)cc1)N1C(=O)N[C@](C)(c2ccccc2)C1=O
InChIInChI=1S/C19H17BrN2O3/c1-12(16(23)13-8-10-15(20)11-9-13)22-17(24)19(2,21-18(22)25)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,21,25)/t12-,19-/m1/s1
InChIKeyGBTGKBAJZZNYKF-CWTRNNRKSA-N
XLogP3.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-methyl-3-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]-5-phenylimidazolidine-2,4-dione
CID 2528049
(5R)-3-[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2527796
3-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione
CID 2493473
(5R)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-5-phenylimidazolidine-2,4-dione
CID 7916777
(5R)-3-[(2S)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 2481092
(2R)-N-hydroxy-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]propanamide
CID 54441297
3-[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione
CID 2093881
(5S)-5-(3-bromophenyl)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]imidazolidine-2,4-dione
CID 7916791
N-(4-bromophenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2580352
3-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione
CID 2161847
3-bromo-5-methyl-5-phenylimidazolidine-2,4-dione
CID 4609446
2-bromo-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]benzamide
CID 8879406

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl]-5-methyl-5-phenylimidazolidine-2,4-dione (CID 2461066) is (5R)-3-[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl]-5-methyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl]-5-methyl-5-phenylimidazolidine-2,4-dione is C[C@H](C(=O)c1ccc(Br)cc1)N1C(=O)N[C@](C)(c2ccccc2)C1=O.
What is the InChIKey of (5R)-3-[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is GBTGKBAJZZNYKF-CWTRNNRKSA-N. The full InChI is InChI=1S/C19H17BrN2O3/c1-12(16(23)13-8-10-15(20)11-9-13)22-17(24)19(2,21-18(22)25)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,21,25)/t12-,19-/m1/s1.
What are the key properties of (5R)-3-[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl]-5-methyl-5-phenylimidazolidine-2,4-dione?
(5R)-3-[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl]-5-methyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 401.26 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl]-5-methyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 2461066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).