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

C21H19BrN4O3 — CID 2108511

IUPAC(5S)-3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
SMILESCCC[C@@]1(c2ccccc2)NC(=O)N(Cc2nnc(-c3ccccc3Br)o2)C1=O
InChIInChI=1S/C21H19BrN4O3/c1-2-12-21(14-8-4-3-5-9-14)19(27)26(20(28)23-21)13-17-24-25-18(29-17)15-10-6-7-11-16(15)22/h3-11H,2,12-13H2,1H3,(H,23,28)/t21-/m0/s1
InChIKeyHPJHSQLAKBCISL-NRFANRHFSA-N
MW455.31 g/mol
LogP4.25
Rot. Bonds6

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

(5S)-3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-phenyl-5-propylimidazolidine-2,4-dione (PubChem CID 2108511) has the molecular formula C21H19BrN4O3 and a molecular weight of 455.31 g/mol. Its IUPAC name is (5S)-3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-phenyl-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
PubChem CID2108511
Molecular FormulaC21H19BrN4O3
Molecular Weight455.31 g/mol
Exact Mass454.06
IUPAC Name(5S)-3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
SMILESCCC[C@@]1(c2ccccc2)NC(=O)N(Cc2nnc(-c3ccccc3Br)o2)C1=O
InChIInChI=1S/C21H19BrN4O3/c1-2-12-21(14-8-4-3-5-9-14)19(27)26(20(28)23-21)13-17-24-25-18(29-17)15-10-6-7-11-16(15)22/h3-11H,2,12-13H2,1H3,(H,23,28)/t21-/m0/s1
InChIKeyHPJHSQLAKBCISL-NRFANRHFSA-N
XLogP4.25
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.31
LogP ≤ 54.25
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-ethyl-3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-phenylimidazolidine-2,4-dione
CID 17405120
(5R)-3-[(4-chlorophenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 2585401
(5R)-5-benzyl-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-phenylimidazolidine-2,4-dione
CID 41213860
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetonitrile
CID 2585411
(5R)-3-[(2-fluorophenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 2585387
4-[[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]methyl]benzamide
CID 40820348
(5R)-5-benzyl-3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione
CID 2102294
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 4690885
(5R)-3-[(5-bromo-2-methoxyphenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 8572162
(5S)-5-phenyl-5-propyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 40882948
(5S)-3-[(3-fluorophenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 7986927
4-[(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)methyl]-N-hydroxybenzamide
CID 164617546

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-phenyl-5-propylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-phenyl-5-propylimidazolidine-2,4-dione (CID 2108511) is (5S)-3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-phenyl-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-phenyl-5-propylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-phenyl-5-propylimidazolidine-2,4-dione is CCC[C@@]1(c2ccccc2)NC(=O)N(Cc2nnc(-c3ccccc3Br)o2)C1=O.
What is the InChIKey of (5S)-3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-phenyl-5-propylimidazolidine-2,4-dione?
The InChIKey is HPJHSQLAKBCISL-NRFANRHFSA-N. The full InChI is InChI=1S/C21H19BrN4O3/c1-2-12-21(14-8-4-3-5-9-14)19(27)26(20(28)23-21)13-17-24-25-18(29-17)15-10-6-7-11-16(15)22/h3-11H,2,12-13H2,1H3,(H,23,28)/t21-/m0/s1.
What are the key properties of (5S)-3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-phenyl-5-propylimidazolidine-2,4-dione?
(5S)-3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-phenyl-5-propylimidazolidine-2,4-dione has a molecular weight of 455.31 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-phenyl-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 2108511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).