3-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione

C23H17ClN4O3 — CID 55578823

IUPAC3-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
SMILESCC1(c2ccc3ccccc3c2)NC(=O)N(Cc2noc(-c3ccccc3Cl)n2)C1=O
InChIInChI=1S/C23H17ClN4O3/c1-23(16-11-10-14-6-2-3-7-15(14)12-16)21(29)28(22(30)26-23)13-19-25-20(31-27-19)17-8-4-5-9-18(17)24/h2-12H,13H2,1H3,(H,26,30)
InChIKeyGGEPAPODXAWJIY-UHFFFAOYSA-N
MW432.87 g/mol
LogP4.51
Rot. Bonds4

About 3-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione

3-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione (PubChem CID 55578823) has the molecular formula C23H17ClN4O3 and a molecular weight of 432.87 g/mol. Its IUPAC name is 3-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
PubChem CID55578823
Molecular FormulaC23H17ClN4O3
Molecular Weight432.87 g/mol
Exact Mass432.10
IUPAC Name3-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
SMILESCC1(c2ccc3ccccc3c2)NC(=O)N(Cc2noc(-c3ccccc3Cl)n2)C1=O
InChIInChI=1S/C23H17ClN4O3/c1-23(16-11-10-14-6-2-3-7-15(14)12-16)21(29)28(22(30)26-23)13-19-25-20(31-27-19)17-8-4-5-9-18(17)24/h2-12H,13H2,1H3,(H,26,30)
InChIKeyGGEPAPODXAWJIY-UHFFFAOYSA-N
XLogP4.51
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.87
LogP ≤ 54.51
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-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 43038665
(5S)-3-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 94026653
(5S)-3-[(2-chlorophenyl)methyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione
CID 8001244
(5S)-5-(3-bromophenyl)-5-methyl-3-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4-dione
CID 51931904
5-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 24592742
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2371043
5-methyl-5-naphthalen-2-yl-3-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione
CID 24674252
(5R)-3-(1,3-benzothiazol-2-ylmethyl)-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 9439740
(5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 40794608
5-(2-bromophenyl)-5-methyl-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4-dione
CID 78878886
3-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 24593361

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
The IUPAC name of 3-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione (CID 55578823) is 3-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione is CC1(c2ccc3ccccc3c2)NC(=O)N(Cc2noc(-c3ccccc3Cl)n2)C1=O.
What is the InChIKey of 3-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
The InChIKey is GGEPAPODXAWJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN4O3/c1-23(16-11-10-14-6-2-3-7-15(14)12-16)21(29)28(22(30)26-23)13-19-25-20(31-27-19)17-8-4-5-9-18(17)24/h2-12H,13H2,1H3,(H,26,30).
What are the key properties of 3-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
3-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione has a molecular weight of 432.87 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 55578823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).