3-benzyl-5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]imidazolidine-2,4-dione

C21H20FN3O3 — CID 1006186

IUPAC3-benzyl-5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=Cc2ccc(N3CCOCC3)c(F)c2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C21H20FN3O3/c22-17-12-16(6-7-19(17)24-8-10-28-11-9-24)13-18-20(26)25(21(27)23-18)14-15-4-2-1-3-5-15/h1-7,12-13H,8-11,14H2,(H,23,27)
InChIKeySXOJSVQGUIMPDA-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.76
Rot. Bonds4

About 3-benzyl-5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]imidazolidine-2,4-dione

3-benzyl-5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 1006186) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is 3-benzyl-5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID1006186
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name3-benzyl-5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=Cc2ccc(N3CCOCC3)c(F)c2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C21H20FN3O3/c22-17-12-16(6-7-19(17)24-8-10-28-11-9-24)13-18-20(26)25(21(27)23-18)14-15-4-2-1-3-5-15/h1-7,12-13H,8-11,14H2,(H,23,27)
InChIKeySXOJSVQGUIMPDA-UHFFFAOYSA-N
XLogP2.76
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

(5Z)-5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 126148641
(5E)-3-[(4-bromophenyl)methyl]-5-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]imidazolidine-2,4-dione
CID 6519058
2-[(4Z)-4-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 126154508
(5Z)-1-benzyl-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 2293133
ethylbenzene;3-fluoro-4-morpholin-4-ylbenzaldehyde;methanol
CID 142383850
(5E)-3-benzyl-5-[(3-bromo-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 126213828
(5Z)-3-benzyl-5-[[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione
CID 99885860
N-(4-chlorophenyl)-2-[4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4240703
3-benzyl-5-[(3-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 4084865
(5E)-3-benzyl-5-[(3-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 6006049
(5E)-3-benzyl-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione
CID 68648545
(5E)-3-benzyl-5-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]imidazolidine-2,4-dione
CID 126212656

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of 3-benzyl-5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]imidazolidine-2,4-dione (CID 1006186) is 3-benzyl-5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for 3-benzyl-5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for 3-benzyl-5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]imidazolidine-2,4-dione is O=C1NC(=Cc2ccc(N3CCOCC3)c(F)c2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is SXOJSVQGUIMPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c22-17-12-16(6-7-19(17)24-8-10-28-11-9-24)13-18-20(26)25(21(27)23-18)14-15-4-2-1-3-5-15/h1-7,12-13H,8-11,14H2,(H,23,27).
What are the key properties of 3-benzyl-5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]imidazolidine-2,4-dione?
3-benzyl-5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 381.41 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 1006186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).