(5R)-3-[(5-bromo-2-methoxyphenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione

C20H21BrN2O3 — CID 8572162

IUPAC(5R)-3-[(5-bromo-2-methoxyphenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
SMILESCCC[C@]1(c2ccccc2)NC(=O)N(Cc2cc(Br)ccc2OC)C1=O
InChIInChI=1S/C20H21BrN2O3/c1-3-11-20(15-7-5-4-6-8-15)18(24)23(19(25)22-20)13-14-12-16(21)9-10-17(14)26-2/h4-10,12H,3,11,13H2,1-2H3,(H,22,25)/t20-/m1/s1
InChIKeyZLVQPBVSIUCOLR-HXUWFJFHSA-N
MW417.30 g/mol
LogP4.21
Rot. Bonds6

About (5R)-3-[(5-bromo-2-methoxyphenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione

(5R)-3-[(5-bromo-2-methoxyphenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione (PubChem CID 8572162) has the molecular formula C20H21BrN2O3 and a molecular weight of 417.30 g/mol. Its IUPAC name is (5R)-3-[(5-bromo-2-methoxyphenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(5-bromo-2-methoxyphenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
PubChem CID8572162
Molecular FormulaC20H21BrN2O3
Molecular Weight417.30 g/mol
Exact Mass416.07
IUPAC Name(5R)-3-[(5-bromo-2-methoxyphenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
SMILESCCC[C@]1(c2ccccc2)NC(=O)N(Cc2cc(Br)ccc2OC)C1=O
InChIInChI=1S/C20H21BrN2O3/c1-3-11-20(15-7-5-4-6-8-15)18(24)23(19(25)22-20)13-14-12-16(21)9-10-17(14)26-2/h4-10,12H,3,11,13H2,1-2H3,(H,22,25)/t20-/m1/s1
InChIKeyZLVQPBVSIUCOLR-HXUWFJFHSA-N
XLogP4.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.30
LogP ≤ 54.21
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

(5R)-3-[(2-fluorophenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 2585387
3-[(5-bromo-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17428005
(5R)-3-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 40811680
5-ethyl-3-[(5-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 51138980
(5S)-5-phenyl-5-propyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 40882948
(5S)-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 8521765
(5R)-3-[(4-chlorophenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 2585401
(5S)-3-[(3-fluorophenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 7986927
(5S)-3-[(2,5-dimethoxyphenyl)methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 8571287
5-benzyl-3-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 17410774
5-(1-benzofuran-2-yl)-3-[(5-bromo-2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 55442400
(5S)-3-[(4-tert-butylphenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 25465314

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(5-bromo-2-methoxyphenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(5-bromo-2-methoxyphenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione (CID 8572162) is (5R)-3-[(5-bromo-2-methoxyphenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(5-bromo-2-methoxyphenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(5-bromo-2-methoxyphenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione is CCC[C@]1(c2ccccc2)NC(=O)N(Cc2cc(Br)ccc2OC)C1=O.
What is the InChIKey of (5R)-3-[(5-bromo-2-methoxyphenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione?
The InChIKey is ZLVQPBVSIUCOLR-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H21BrN2O3/c1-3-11-20(15-7-5-4-6-8-15)18(24)23(19(25)22-20)13-14-12-16(21)9-10-17(14)26-2/h4-10,12H,3,11,13H2,1-2H3,(H,22,25)/t20-/m1/s1.
What are the key properties of (5R)-3-[(5-bromo-2-methoxyphenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione?
(5R)-3-[(5-bromo-2-methoxyphenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione has a molecular weight of 417.30 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(5-bromo-2-methoxyphenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 8572162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).