(5S)-5-[(4-bromophenyl)methoxymethyl]-3-[(3R)-1-hydroxy-4-methyl-2-oxopentan-3-yl]imidazolidine-2,4-dione;ethene

C19H25BrN2O5 — CID 161301627

IUPAC(5S)-5-[(4-bromophenyl)methoxymethyl]-3-[(3R)-1-hydroxy-4-methyl-2-oxopentan-3-yl]imidazolidine-2,4-dione;ethene
SMILESC=C.CC(C)[C@H](C(=O)CO)N1C(=O)N[C@@H](COCc2ccc(Br)cc2)C1=O
InChIInChI=1S/C17H21BrN2O5.C2H4/c1-10(2)15(14(22)7-21)20-16(23)13(19-17(20)24)9-25-8-11-3-5-12(18)6-4-11;1-2/h3-6,10,13,15,21H,7-9H2,1-2H3,(H,19,24);1-2H2/t13-,15+;/m0./s1
InChIKeyVHRUFZBCVYEFQW-NQQJLSKUSA-N
MW441.32 g/mol
LogP2.27
Rot. Bonds8

About (5S)-5-[(4-bromophenyl)methoxymethyl]-3-[(3R)-1-hydroxy-4-methyl-2-oxopentan-3-yl]imidazolidine-2,4-dione;ethene

(5S)-5-[(4-bromophenyl)methoxymethyl]-3-[(3R)-1-hydroxy-4-methyl-2-oxopentan-3-yl]imidazolidine-2,4-dione;ethene (PubChem CID 161301627) has the molecular formula C19H25BrN2O5 and a molecular weight of 441.32 g/mol. Its IUPAC name is (5S)-5-[(4-bromophenyl)methoxymethyl]-3-[(3R)-1-hydroxy-4-methyl-2-oxopentan-3-yl]imidazolidine-2,4-dione;ethene.

Molecular Properties

Compound Name(5S)-5-[(4-bromophenyl)methoxymethyl]-3-[(3R)-1-hydroxy-4-methyl-2-oxopentan-3-yl]imidazolidine-2,4-dione;ethene
PubChem CID161301627
Molecular FormulaC19H25BrN2O5
Molecular Weight441.32 g/mol
Exact Mass440.09
IUPAC Name(5S)-5-[(4-bromophenyl)methoxymethyl]-3-[(3R)-1-hydroxy-4-methyl-2-oxopentan-3-yl]imidazolidine-2,4-dione;ethene
SMILESC=C.CC(C)[C@H](C(=O)CO)N1C(=O)N[C@@H](COCc2ccc(Br)cc2)C1=O
InChIInChI=1S/C17H21BrN2O5.C2H4/c1-10(2)15(14(22)7-21)20-16(23)13(19-17(20)24)9-25-8-11-3-5-12(18)6-4-11;1-2/h3-6,10,13,15,21H,7-9H2,1-2H3,(H,19,24);1-2H2/t13-,15+;/m0./s1
InChIKeyVHRUFZBCVYEFQW-NQQJLSKUSA-N
XLogP2.27
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(4-bromophenyl)methoxymethyl]-3-[(3R)-1-hydroxy-4-methyl-2-oxopentan-3-yl]imidazolidine-2,4-dione;ethene?
The IUPAC name of (5S)-5-[(4-bromophenyl)methoxymethyl]-3-[(3R)-1-hydroxy-4-methyl-2-oxopentan-3-yl]imidazolidine-2,4-dione;ethene (CID 161301627) is (5S)-5-[(4-bromophenyl)methoxymethyl]-3-[(3R)-1-hydroxy-4-methyl-2-oxopentan-3-yl]imidazolidine-2,4-dione;ethene.
What is the SMILES notation for (5S)-5-[(4-bromophenyl)methoxymethyl]-3-[(3R)-1-hydroxy-4-methyl-2-oxopentan-3-yl]imidazolidine-2,4-dione;ethene?
The canonical SMILES for (5S)-5-[(4-bromophenyl)methoxymethyl]-3-[(3R)-1-hydroxy-4-methyl-2-oxopentan-3-yl]imidazolidine-2,4-dione;ethene is C=C.CC(C)[C@H](C(=O)CO)N1C(=O)N[C@@H](COCc2ccc(Br)cc2)C1=O.
What is the InChIKey of (5S)-5-[(4-bromophenyl)methoxymethyl]-3-[(3R)-1-hydroxy-4-methyl-2-oxopentan-3-yl]imidazolidine-2,4-dione;ethene?
The InChIKey is VHRUFZBCVYEFQW-NQQJLSKUSA-N. The full InChI is InChI=1S/C17H21BrN2O5.C2H4/c1-10(2)15(14(22)7-21)20-16(23)13(19-17(20)24)9-25-8-11-3-5-12(18)6-4-11;1-2/h3-6,10,13,15,21H,7-9H2,1-2H3,(H,19,24);1-2H2/t13-,15+;/m0./s1.
What are the key properties of (5S)-5-[(4-bromophenyl)methoxymethyl]-3-[(3R)-1-hydroxy-4-methyl-2-oxopentan-3-yl]imidazolidine-2,4-dione;ethene?
(5S)-5-[(4-bromophenyl)methoxymethyl]-3-[(3R)-1-hydroxy-4-methyl-2-oxopentan-3-yl]imidazolidine-2,4-dione;ethene has a molecular weight of 441.32 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(4-bromophenyl)methoxymethyl]-3-[(3R)-1-hydroxy-4-methyl-2-oxopentan-3-yl]imidazolidine-2,4-dione;ethene is sourced from PubChem (CID 161301627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).