5-(2-bromophenyl)-5-methyl-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4-dione

C19H15BrN4O3 — CID 78878886

IUPAC5-(2-bromophenyl)-5-methyl-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4-dione
SMILESCC1(c2ccccc2Br)NC(=O)N(Cc2noc(-c3ccccc3)n2)C1=O
InChIInChI=1S/C19H15BrN4O3/c1-19(13-9-5-6-10-14(13)20)17(25)24(18(26)22-19)11-15-21-16(27-23-15)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,22,26)
InChIKeyIHNXLYKXTCABRO-UHFFFAOYSA-N
MW427.26 g/mol
LogP3.47
Rot. Bonds4

About 5-(2-bromophenyl)-5-methyl-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4-dione

5-(2-bromophenyl)-5-methyl-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4-dione (PubChem CID 78878886) has the molecular formula C19H15BrN4O3 and a molecular weight of 427.26 g/mol. Its IUPAC name is 5-(2-bromophenyl)-5-methyl-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2-bromophenyl)-5-methyl-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4-dione
PubChem CID78878886
Molecular FormulaC19H15BrN4O3
Molecular Weight427.26 g/mol
Exact Mass426.03
IUPAC Name5-(2-bromophenyl)-5-methyl-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4-dione
SMILESCC1(c2ccccc2Br)NC(=O)N(Cc2noc(-c3ccccc3)n2)C1=O
InChIInChI=1S/C19H15BrN4O3/c1-19(13-9-5-6-10-14(13)20)17(25)24(18(26)22-19)11-15-21-16(27-23-15)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,22,26)
InChIKeyIHNXLYKXTCABRO-UHFFFAOYSA-N
XLogP3.47
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.26
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-5-(4-methylphenyl)-3-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4-dione
CID 43047103
3'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 78879020
(5S)-5-(3-bromophenyl)-5-methyl-3-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4-dione
CID 51931904
(5S)-5-(2-bromophenyl)-5-methyl-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 40856927
(5S)-3-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 94026653
(5R)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 95589595
5-(2-chloro-4-fluorophenyl)-3-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 56519349
(5S)-5-(2-bromophenyl)-3-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 40880953
(5R)-3-(1,3-benzothiazol-2-ylmethyl)-5-(2-bromophenyl)-5-methylimidazolidine-2,4-dione
CID 2702495
5-(2-bromophenyl)-3-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 55356802
(5S)-5-(2-bromophenyl)-3-[(3-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 40794994
(5S)-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylphenyl)imidazolidine-2,4-dione
CID 94825622

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-5-methyl-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(2-bromophenyl)-5-methyl-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4-dione (CID 78878886) is 5-(2-bromophenyl)-5-methyl-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(2-bromophenyl)-5-methyl-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(2-bromophenyl)-5-methyl-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4-dione is CC1(c2ccccc2Br)NC(=O)N(Cc2noc(-c3ccccc3)n2)C1=O.
What is the InChIKey of 5-(2-bromophenyl)-5-methyl-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is IHNXLYKXTCABRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4O3/c1-19(13-9-5-6-10-14(13)20)17(25)24(18(26)22-19)11-15-21-16(27-23-15)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,22,26).
What are the key properties of 5-(2-bromophenyl)-5-methyl-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4-dione?
5-(2-bromophenyl)-5-methyl-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 427.26 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-5-methyl-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 78878886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).