ethane;5-ethyl-2-(methylaminomethyl)benzaldehyde;5-[5-[(E)-hydroxyiminomethyl]-1H-inden-2-yl]imidazolidine-2,4-dione

C26H32N4O4 — CID 143512769

IUPACethane;5-ethyl-2-(methylaminomethyl)benzaldehyde;5-[5-[(E)-hydroxyiminomethyl]-1H-inden-2-yl]imidazolidine-2,4-dione
SMILESCC.CCc1ccc(CNC)c(C=O)c1.O=C1NC(=O)C(C2=Cc3cc(/C=N/O)ccc3C2)N1
InChIInChI=1S/C13H11N3O3.C11H15NO.C2H6/c17-12-11(15-13(18)16-12)10-4-8-2-1-7(6-14-19)3-9(8)5-10;1-3-9-4-5-10(7-12-2)11(6-9)8-13;1-2/h1-3,5-6,11,19H,4H2,(H2,15,16,17,18);4-6,8,12H,3,7H2,1-2H3;1-2H3/b14-6+;;
InChIKeyUGYSBFBNOOLJFS-OJHGAHPXSA-N
MW464.57 g/mol
LogP3.45
Rot. Bonds6

About ethane;5-ethyl-2-(methylaminomethyl)benzaldehyde;5-[5-[(E)-hydroxyiminomethyl]-1H-inden-2-yl]imidazolidine-2,4-dione

ethane;5-ethyl-2-(methylaminomethyl)benzaldehyde;5-[5-[(E)-hydroxyiminomethyl]-1H-inden-2-yl]imidazolidine-2,4-dione (PubChem CID 143512769) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is ethane;5-ethyl-2-(methylaminomethyl)benzaldehyde;5-[5-[(E)-hydroxyiminomethyl]-1H-inden-2-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Nameethane;5-ethyl-2-(methylaminomethyl)benzaldehyde;5-[5-[(E)-hydroxyiminomethyl]-1H-inden-2-yl]imidazolidine-2,4-dione
PubChem CID143512769
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC Nameethane;5-ethyl-2-(methylaminomethyl)benzaldehyde;5-[5-[(E)-hydroxyiminomethyl]-1H-inden-2-yl]imidazolidine-2,4-dione
SMILESCC.CCc1ccc(CNC)c(C=O)c1.O=C1NC(=O)C(C2=Cc3cc(/C=N/O)ccc3C2)N1
InChIInChI=1S/C13H11N3O3.C11H15NO.C2H6/c17-12-11(15-13(18)16-12)10-4-8-2-1-7(6-14-19)3-9(8)5-10;1-3-9-4-5-10(7-12-2)11(6-9)8-13;1-2/h1-3,5-6,11,19H,4H2,(H2,15,16,17,18);4-6,8,12H,3,7H2,1-2H3;1-2H3/b14-6+;;
InChIKeyUGYSBFBNOOLJFS-OJHGAHPXSA-N
XLogP3.45
TPSA119.89 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 53.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-2-(methylaminomethyl)benzaldehyde;5-[5-[(E)-hydroxyiminomethyl]-1H-inden-2-yl]imidazolidine-2,4-dione?
The IUPAC name of ethane;5-ethyl-2-(methylaminomethyl)benzaldehyde;5-[5-[(E)-hydroxyiminomethyl]-1H-inden-2-yl]imidazolidine-2,4-dione (CID 143512769) is ethane;5-ethyl-2-(methylaminomethyl)benzaldehyde;5-[5-[(E)-hydroxyiminomethyl]-1H-inden-2-yl]imidazolidine-2,4-dione.
What is the SMILES notation for ethane;5-ethyl-2-(methylaminomethyl)benzaldehyde;5-[5-[(E)-hydroxyiminomethyl]-1H-inden-2-yl]imidazolidine-2,4-dione?
The canonical SMILES for ethane;5-ethyl-2-(methylaminomethyl)benzaldehyde;5-[5-[(E)-hydroxyiminomethyl]-1H-inden-2-yl]imidazolidine-2,4-dione is CC.CCc1ccc(CNC)c(C=O)c1.O=C1NC(=O)C(C2=Cc3cc(/C=N/O)ccc3C2)N1.
What is the InChIKey of ethane;5-ethyl-2-(methylaminomethyl)benzaldehyde;5-[5-[(E)-hydroxyiminomethyl]-1H-inden-2-yl]imidazolidine-2,4-dione?
The InChIKey is UGYSBFBNOOLJFS-OJHGAHPXSA-N. The full InChI is InChI=1S/C13H11N3O3.C11H15NO.C2H6/c17-12-11(15-13(18)16-12)10-4-8-2-1-7(6-14-19)3-9(8)5-10;1-3-9-4-5-10(7-12-2)11(6-9)8-13;1-2/h1-3,5-6,11,19H,4H2,(H2,15,16,17,18);4-6,8,12H,3,7H2,1-2H3;1-2H3/b14-6+;;.
What are the key properties of ethane;5-ethyl-2-(methylaminomethyl)benzaldehyde;5-[5-[(E)-hydroxyiminomethyl]-1H-inden-2-yl]imidazolidine-2,4-dione?
ethane;5-ethyl-2-(methylaminomethyl)benzaldehyde;5-[5-[(E)-hydroxyiminomethyl]-1H-inden-2-yl]imidazolidine-2,4-dione has a molecular weight of 464.57 g/mol, XLogP of 3.45, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-2-(methylaminomethyl)benzaldehyde;5-[5-[(E)-hydroxyiminomethyl]-1H-inden-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 143512769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).