(5R)-3-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione

C22H19BrN2O3 — CID 40811680

IUPAC(5R)-3-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
SMILESCOc1ccc(Br)cc1CN1C(=O)N[C@](C)(c2cccc3ccccc23)C1=O
InChIInChI=1S/C22H19BrN2O3/c1-22(18-9-5-7-14-6-3-4-8-17(14)18)20(26)25(21(27)24-22)13-15-12-16(23)10-11-19(15)28-2/h3-12H,13H2,1-2H3,(H,24,27)/t22-/m1/s1
InChIKeyMULHTXYUJVHFJG-JOCHJYFZSA-N
MW439.31 g/mol
LogP4.58
Rot. Bonds4

About (5R)-3-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione

(5R)-3-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione (PubChem CID 40811680) has the molecular formula C22H19BrN2O3 and a molecular weight of 439.31 g/mol. Its IUPAC name is (5R)-3-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
PubChem CID40811680
Molecular FormulaC22H19BrN2O3
Molecular Weight439.31 g/mol
Exact Mass438.06
IUPAC Name(5R)-3-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
SMILESCOc1ccc(Br)cc1CN1C(=O)N[C@](C)(c2cccc3ccccc23)C1=O
InChIInChI=1S/C22H19BrN2O3/c1-22(18-9-5-7-14-6-3-4-8-17(14)18)20(26)25(21(27)24-22)13-15-12-16(23)10-11-19(15)28-2/h3-12H,13H2,1-2H3,(H,24,27)/t22-/m1/s1
InChIKeyMULHTXYUJVHFJG-JOCHJYFZSA-N
XLogP4.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.31
LogP ≤ 54.58
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

5-(1-benzofuran-2-yl)-3-[(5-bromo-2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 55442400
(5S)-5-(2-bromophenyl)-3-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 40880953
(5S)-3-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 40789411
3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2-bromophenyl)-5-methylimidazolidine-2,4-dione
CID 4034522
(5S)-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 95627431
(5S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 7180024
3-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 46606466
(5R)-3-[(5-bromo-2-methoxyphenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 8572162
3-[(5-bromo-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17428005
3-ethyl-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 42915150
2-[(5-bromo-2-methoxyphenyl)methyl]isoquinolin-1-one
CID 78915730
5-methyl-5-naphthalen-1-yl-3-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione
CID 24674242

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione (CID 40811680) is (5R)-3-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione is COc1ccc(Br)cc1CN1C(=O)N[C@](C)(c2cccc3ccccc23)C1=O.
What is the InChIKey of (5R)-3-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
The InChIKey is MULHTXYUJVHFJG-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H19BrN2O3/c1-22(18-9-5-7-14-6-3-4-8-17(14)18)20(26)25(21(27)24-22)13-15-12-16(23)10-11-19(15)28-2/h3-12H,13H2,1-2H3,(H,24,27)/t22-/m1/s1.
What are the key properties of (5R)-3-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
(5R)-3-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione has a molecular weight of 439.31 g/mol, XLogP of 4.58, 4 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-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione is sourced from PubChem (CID 40811680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).