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

C20H18N4O5 — CID 126015358

IUPAC(5Z)-5-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]-3-phenylimidazolidine-2,4-dione
SMILESO=C1N/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1c1ccccc1
InChIInChI=1S/C20H18N4O5/c25-19-17(21-20(26)23(19)15-4-2-1-3-5-15)13-14-12-16(24(27)28)6-7-18(14)22-8-10-29-11-9-22/h1-7,12-13H,8-11H2,(H,21,26)/b17-13-
InChIKeyGNOMJMTUKWETCA-LGMDPLHJSA-N
MW394.39 g/mol
LogP2.53
Rot. Bonds4

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

(5Z)-5-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]-3-phenylimidazolidine-2,4-dione (PubChem CID 126015358) has the molecular formula C20H18N4O5 and a molecular weight of 394.39 g/mol. Its IUPAC name is (5Z)-5-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]-3-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]-3-phenylimidazolidine-2,4-dione
PubChem CID126015358
Molecular FormulaC20H18N4O5
Molecular Weight394.39 g/mol
Exact Mass394.13
IUPAC Name(5Z)-5-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]-3-phenylimidazolidine-2,4-dione
SMILESO=C1N/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1c1ccccc1
InChIInChI=1S/C20H18N4O5/c25-19-17(21-20(26)23(19)15-4-2-1-3-5-15)13-14-12-16(24(27)28)6-7-18(14)22-8-10-29-11-9-22/h1-7,12-13H,8-11H2,(H,21,26)/b17-13-
InChIKeyGNOMJMTUKWETCA-LGMDPLHJSA-N
XLogP2.53
TPSA105.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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

(5Z)-5-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 124650398
4-nitro-2-[(Z)-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenolate
CID 7431468
2-morpholin-4-yl-5-nitrobenzaldehyde
CID 2794872
5-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]-1-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
CID 4974773
3-(3-fluorophenyl)-5-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5031639
(5E)-5-[(2-chloro-5-nitrophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 2188490
(5Z)-5-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazolidine-2,4-dione
CID 126204016
(5Z)-3-(3-methylsulfanylphenyl)-5-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126353507
(5Z)-3-[4-(dimethylamino)phenyl]-5-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126351297
(5Z)-1-(3-chlorophenyl)-5-[(5-nitro-2-piperazin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 66522422
(5E)-5-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126349465
5-[[1-(2-methoxy-5-nitrophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-phenylimidazolidine-2,4-dione
CID 1285570

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]-3-phenylimidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]-3-phenylimidazolidine-2,4-dione (CID 126015358) is (5Z)-5-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]-3-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]-3-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]-3-phenylimidazolidine-2,4-dione is O=C1N/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1c1ccccc1.
What is the InChIKey of (5Z)-5-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]-3-phenylimidazolidine-2,4-dione?
The InChIKey is GNOMJMTUKWETCA-LGMDPLHJSA-N. The full InChI is InChI=1S/C20H18N4O5/c25-19-17(21-20(26)23(19)15-4-2-1-3-5-15)13-14-12-16(24(27)28)6-7-18(14)22-8-10-29-11-9-22/h1-7,12-13H,8-11H2,(H,21,26)/b17-13-.
What are the key properties of (5Z)-5-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]-3-phenylimidazolidine-2,4-dione?
(5Z)-5-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]-3-phenylimidazolidine-2,4-dione has a molecular weight of 394.39 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]-3-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 126015358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).