5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione

C22H19N5O5 — CID 112788610

IUPAC5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione
SMILESCC1(c2ccc3c(c2)CCC3)NC(=O)N(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O
InChIInChI=1S/C22H19N5O5/c1-22(16-8-5-13-3-2-4-15(13)11-16)20(28)26(21(29)23-22)12-18-24-25-19(32-18)14-6-9-17(10-7-14)27(30)31/h5-11H,2-4,12H2,1H3,(H,23,29)
InChIKeyLCTXJMBERXEBMS-UHFFFAOYSA-N
MW433.42 g/mol
LogP3.10
Rot. Bonds5

About 5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione

5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione (PubChem CID 112788610) has the molecular formula C22H19N5O5 and a molecular weight of 433.42 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione
PubChem CID112788610
Molecular FormulaC22H19N5O5
Molecular Weight433.42 g/mol
Exact Mass433.14
IUPAC Name5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione
SMILESCC1(c2ccc3c(c2)CCC3)NC(=O)N(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O
InChIInChI=1S/C22H19N5O5/c1-22(16-8-5-13-3-2-4-15(13)11-16)20(28)26(21(29)23-22)12-18-24-25-19(32-18)14-6-9-17(10-7-14)27(30)31/h5-11H,2-4,12H2,1H3,(H,23,29)
InChIKeyLCTXJMBERXEBMS-UHFFFAOYSA-N
XLogP3.10
TPSA131.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(4-chlorophenyl)-5-methyl-3-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione
CID 112787554
(5R)-3-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione
CID 26012130
3'-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 112788366
4-[4-methyl-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 55602325
3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 47094602
(5R)-5-(3-bromophenyl)-3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 92786945
(5S)-5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]imidazolidine-2,4-dione
CID 41157193
2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-nitrophenyl)acetamide
CID 7988380
(5S)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione
CID 7988392
5-(1,3-benzodioxol-5-yl)-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 17397810
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole
CID 31337841
(5R)-3-[(5-chlorothiadiazol-4-yl)methyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione
CID 9452500

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione (CID 112788610) is 5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione is CC1(c2ccc3c(c2)CCC3)NC(=O)N(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is LCTXJMBERXEBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O5/c1-22(16-8-5-13-3-2-4-15(13)11-16)20(28)26(21(29)23-22)12-18-24-25-19(32-18)14-6-9-17(10-7-14)27(30)31/h5-11H,2-4,12H2,1H3,(H,23,29).
What are the key properties of 5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione?
5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 433.42 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 112788610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).