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

C19H15BrN4O3 — CID 2102294

IUPAC(5R)-5-benzyl-3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione
SMILESO=C1N[C@H](Cc2ccccc2)C(=O)N1Cc1nnc(-c2ccccc2Br)o1
InChIInChI=1S/C19H15BrN4O3/c20-14-9-5-4-8-13(14)17-23-22-16(27-17)11-24-18(25)15(21-19(24)26)10-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,21,26)/t15-/m1/s1
InChIKeyMLRWRWGURXFZOJ-OAHLLOKOSA-N
MW427.26 g/mol
LogP3.16
Rot. Bonds5

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

(5R)-5-benzyl-3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione (PubChem CID 2102294) has the molecular formula C19H15BrN4O3 and a molecular weight of 427.26 g/mol. Its IUPAC name is (5R)-5-benzyl-3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-benzyl-3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione
PubChem CID2102294
Molecular FormulaC19H15BrN4O3
Molecular Weight427.26 g/mol
Exact Mass426.03
IUPAC Name(5R)-5-benzyl-3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione
SMILESO=C1N[C@H](Cc2ccccc2)C(=O)N1Cc1nnc(-c2ccccc2Br)o1
InChIInChI=1S/C19H15BrN4O3/c20-14-9-5-4-8-13(14)17-23-22-16(27-17)11-24-18(25)15(21-19(24)26)10-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,21,26)/t15-/m1/s1
InChIKeyMLRWRWGURXFZOJ-OAHLLOKOSA-N
XLogP3.16
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.26
LogP ≤ 53.16
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

3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
CID 2997618
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 4690885
2-(2-bromophenyl)-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 46643063
(5S)-3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 2108511
5-benzyl-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
CID 110186788
(5S)-5-benzyl-3-(furan-2-ylmethyl)imidazolidine-2,4-dione
CID 11196501
5-bromo-1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridin-2-one
CID 17485725
1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpiperidin-4-amine
CID 115313163
(5R)-5-benzyl-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione
CID 97251601
2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol
CID 82160241
(5R)-5-(1H-indol-3-ylmethyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]imidazolidine-2,4-dione
CID 9208133
(5R)-5-benzyl-3-(morpholin-4-ylmethyl)imidazolidine-2,4-dione
CID 31263332

Frequently Asked Questions

What is the IUPAC name of (5R)-5-benzyl-3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-benzyl-3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione (CID 2102294) is (5R)-5-benzyl-3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-benzyl-3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-benzyl-3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione is O=C1N[C@H](Cc2ccccc2)C(=O)N1Cc1nnc(-c2ccccc2Br)o1.
What is the InChIKey of (5R)-5-benzyl-3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is MLRWRWGURXFZOJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H15BrN4O3/c20-14-9-5-4-8-13(14)17-23-22-16(27-17)11-24-18(25)15(21-19(24)26)10-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,21,26)/t15-/m1/s1.
What are the key properties of (5R)-5-benzyl-3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione?
(5R)-5-benzyl-3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 427.26 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-benzyl-3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 2102294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).