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

C25H19ClN4O3 — CID 41213860

IUPAC(5R)-5-benzyl-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-phenylimidazolidine-2,4-dione
SMILESO=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C25H19ClN4O3/c26-20-13-11-18(12-14-20)22-29-28-21(33-22)16-30-23(31)25(27-24(30)32,19-9-5-2-6-10-19)15-17-7-3-1-4-8-17/h1-14H,15-16H2,(H,27,32)/t25-/m1/s1
InChIKeyWHDXOHHSVZXLHG-RUZDIDTESA-N
MW458.91 g/mol
LogP4.58
Rot. Bonds6

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

(5R)-5-benzyl-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 41213860) has the molecular formula C25H19ClN4O3 and a molecular weight of 458.91 g/mol. Its IUPAC name is (5R)-5-benzyl-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-benzyl-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-phenylimidazolidine-2,4-dione
PubChem CID41213860
Molecular FormulaC25H19ClN4O3
Molecular Weight458.91 g/mol
Exact Mass458.11
IUPAC Name(5R)-5-benzyl-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-phenylimidazolidine-2,4-dione
SMILESO=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C25H19ClN4O3/c26-20-13-11-18(12-14-20)22-29-28-21(33-22)16-30-23(31)25(27-24(30)32,19-9-5-2-6-10-19)15-17-7-3-1-4-8-17/h1-14H,15-16H2,(H,27,32)/t25-/m1/s1
InChIKeyWHDXOHHSVZXLHG-RUZDIDTESA-N
XLogP4.58
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.91
LogP ≤ 54.58
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

(5R)-5-benzyl-3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione
CID 30553527
5-ethyl-3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-phenylimidazolidine-2,4-dione
CID 17405120
(5S)-5-benzyl-3-[(4-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 7240287
5-(4-chlorophenyl)-5-methyl-3-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione
CID 112787554
4-[(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzonitrile
CID 3936185
(5S)-5-benzyl-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 9451754
(5S)-3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 2108511
(5S)-5-benzyl-3-[(2,3,4,5,6-pentafluorophenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 41305462
(5R)-3-[(4-chlorophenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 2585401
(4R)-3'-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 25438619
(4S)-3'-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 25438623
(5S)-3-(1,3-benzothiazol-2-ylmethyl)-5-benzyl-5-phenylimidazolidine-2,4-dione
CID 7300064

Frequently Asked Questions

What is the IUPAC name of (5R)-5-benzyl-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-benzyl-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-phenylimidazolidine-2,4-dione (CID 41213860) is (5R)-5-benzyl-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-benzyl-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-benzyl-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-phenylimidazolidine-2,4-dione is O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1nnc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of (5R)-5-benzyl-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is WHDXOHHSVZXLHG-RUZDIDTESA-N. The full InChI is InChI=1S/C25H19ClN4O3/c26-20-13-11-18(12-14-20)22-29-28-21(33-22)16-30-23(31)25(27-24(30)32,19-9-5-2-6-10-19)15-17-7-3-1-4-8-17/h1-14H,15-16H2,(H,27,32)/t25-/m1/s1.
What are the key properties of (5R)-5-benzyl-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-phenylimidazolidine-2,4-dione?
(5R)-5-benzyl-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 458.91 g/mol, XLogP of 4.58, 6 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-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 41213860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).