(5Z)-1,3-dimethyl-5-[[4-(4-oxochromen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione

C21H16N2O4 — CID 10784738

IUPAC(5Z)-1,3-dimethyl-5-[[4-(4-oxochromen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione
SMILESCN1C(=O)/C(=C/c2ccc(-c3cc(=O)c4ccccc4o3)cc2)N(C)C1=O
InChIInChI=1S/C21H16N2O4/c1-22-16(20(25)23(2)21(22)26)11-13-7-9-14(10-8-13)19-12-17(24)15-5-3-4-6-18(15)27-19/h3-12H,1-2H3/b16-11-
InChIKeyGVYRQCWTKJTDFS-WJDWOHSUSA-N
MW360.37 g/mol
LogP3.32
Rot. Bonds2

About (5Z)-1,3-dimethyl-5-[[4-(4-oxochromen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione

(5Z)-1,3-dimethyl-5-[[4-(4-oxochromen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione (PubChem CID 10784738) has the molecular formula C21H16N2O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is (5Z)-1,3-dimethyl-5-[[4-(4-oxochromen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-1,3-dimethyl-5-[[4-(4-oxochromen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione
PubChem CID10784738
Molecular FormulaC21H16N2O4
Molecular Weight360.37 g/mol
Exact Mass360.11
IUPAC Name(5Z)-1,3-dimethyl-5-[[4-(4-oxochromen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione
SMILESCN1C(=O)/C(=C/c2ccc(-c3cc(=O)c4ccccc4o3)cc2)N(C)C1=O
InChIInChI=1S/C21H16N2O4/c1-22-16(20(25)23(2)21(22)26)11-13-7-9-14(10-8-13)19-12-17(24)15-5-3-4-6-18(15)27-19/h3-12H,1-2H3/b16-11-
InChIKeyGVYRQCWTKJTDFS-WJDWOHSUSA-N
XLogP3.32
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-1,3-dimethyl-5-[[4-(4-oxochromen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione with MolForge

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Related Compounds

2-phenylchromen-4-one
CID 90124083
2-[4-[(E)-methoxyiminomethyl]phenyl]chromen-4-one
CID 10684060
copper;2-phenylchromen-4-one
CID 175169427
(5Z)-3-[(4-bromophenyl)methyl]-5-[[4-(4-oxochromen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 10673462
(5Z)-3-[(4-fluorophenyl)methyl]-5-[[4-(4-oxochromen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 10527831
2-(4-acetylphenyl)chromen-4-one
CID 66553887
CID 159796273
CID 159796273
2-(4-nitrophenyl)chromen-4-one
CID 622510
2-(4-butylphenyl)chromen-4-one
CID 154714273
2-(3,4-dimethoxyphenyl)chromen-4-one
CID 158873505
2-[4-[(4-nitrophenyl)methylideneamino]phenyl]chromen-4-one
CID 10044638
2-(3-hydroxy-4-propan-2-ylphenyl)chromen-4-one
CID 170553002

Frequently Asked Questions

What is the IUPAC name of (5Z)-1,3-dimethyl-5-[[4-(4-oxochromen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-1,3-dimethyl-5-[[4-(4-oxochromen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione (CID 10784738) is (5Z)-1,3-dimethyl-5-[[4-(4-oxochromen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-1,3-dimethyl-5-[[4-(4-oxochromen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-1,3-dimethyl-5-[[4-(4-oxochromen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione is CN1C(=O)/C(=C/c2ccc(-c3cc(=O)c4ccccc4o3)cc2)N(C)C1=O.
What is the InChIKey of (5Z)-1,3-dimethyl-5-[[4-(4-oxochromen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione?
The InChIKey is GVYRQCWTKJTDFS-WJDWOHSUSA-N. The full InChI is InChI=1S/C21H16N2O4/c1-22-16(20(25)23(2)21(22)26)11-13-7-9-14(10-8-13)19-12-17(24)15-5-3-4-6-18(15)27-19/h3-12H,1-2H3/b16-11-.
What are the key properties of (5Z)-1,3-dimethyl-5-[[4-(4-oxochromen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione?
(5Z)-1,3-dimethyl-5-[[4-(4-oxochromen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione has a molecular weight of 360.37 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-1,3-dimethyl-5-[[4-(4-oxochromen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 10784738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).