5-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]imidazolidine-2,4-dione

C14H14N4O5 — CID 4159725

IUPAC5-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(=Cc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N1
InChIInChI=1S/C14H14N4O5/c19-13-10(15-14(20)16-13)7-9-1-2-11(12(8-9)18(21)22)17-3-5-23-6-4-17/h1-2,7-8H,3-6H2,(H2,15,16,19,20)
InChIKeyQGWBDBDKQZVDDE-UHFFFAOYSA-N
MW318.29 g/mol
LogP0.61
Rot. Bonds3

About 5-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]imidazolidine-2,4-dione

5-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 4159725) has the molecular formula C14H14N4O5 and a molecular weight of 318.29 g/mol. Its IUPAC name is 5-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]imidazolidine-2,4-dione
PubChem CID4159725
Molecular FormulaC14H14N4O5
Molecular Weight318.29 g/mol
Exact Mass318.10
IUPAC Name5-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(=Cc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N1
InChIInChI=1S/C14H14N4O5/c19-13-10(15-14(20)16-13)7-9-1-2-11(12(8-9)18(21)22)17-3-5-23-6-4-17/h1-2,7-8H,3-6H2,(H2,15,16,19,20)
InChIKeyQGWBDBDKQZVDDE-UHFFFAOYSA-N
XLogP0.61
TPSA113.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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-morpholin-4-yl-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 2852250
(5E)-3-[(4-bromophenyl)methyl]-5-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]imidazolidine-2,4-dione
CID 6519058
(5Z)-5-[(4-hydroxy-3-nitrophenyl)methylidene]imidazolidine-2,4-dione
CID 6858430
(E)-3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enoate
CID 7325851
5-methyl-4-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]-2-phenylpyrazol-3-one
CID 2841349
methyl 3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enoate
CID 2794875
(5E)-3-(2,4-dichlorophenyl)-5-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126355824
(5E)-5-[(3-nitrophenyl)methylidene]imidazolidine-2,4-dione
CID 5467828
(4-morpholin-4-yl-3-nitrophenyl)methanol chloride
CID 45108369
[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-(2H-tetrazol-5-yl)azanide
CID 135737268
N-[(E)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2,4-dinitroaniline
CID 126011066
(5E)-3-[(2-chlorophenyl)methyl]-5-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 6274302

Frequently Asked Questions

What is the IUPAC name of 5-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of 5-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]imidazolidine-2,4-dione (CID 4159725) is 5-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for 5-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]imidazolidine-2,4-dione is O=C1NC(=O)C(=Cc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N1.
What is the InChIKey of 5-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is QGWBDBDKQZVDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O5/c19-13-10(15-14(20)16-13)7-9-1-2-11(12(8-9)18(21)22)17-3-5-23-6-4-17/h1-2,7-8H,3-6H2,(H2,15,16,19,20).
What are the key properties of 5-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]imidazolidine-2,4-dione?
5-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 318.29 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 4159725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).