(5E)-5-[[1-(2,3-dimethylphenyl)pyrrol-2-yl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione

C23H20FN3O2 — CID 126120409

IUPAC(5E)-5-[[1-(2,3-dimethylphenyl)pyrrol-2-yl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
SMILESCc1cccc(-n2cccc2/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c1C
InChIInChI=1S/C23H20FN3O2/c1-15-7-5-11-21(16(15)2)26-12-6-9-18(26)13-20-22(28)27(23(29)25-20)14-17-8-3-4-10-19(17)24/h3-13H,14H2,1-2H3,(H,25,29)/b20-13+
InChIKeyINYRTALVACCTOF-DEDYPNTBSA-N
MW389.43 g/mol
LogP4.33
Rot. Bonds4

About (5E)-5-[[1-(2,3-dimethylphenyl)pyrrol-2-yl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione

(5E)-5-[[1-(2,3-dimethylphenyl)pyrrol-2-yl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione (PubChem CID 126120409) has the molecular formula C23H20FN3O2 and a molecular weight of 389.43 g/mol. Its IUPAC name is (5E)-5-[[1-(2,3-dimethylphenyl)pyrrol-2-yl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[1-(2,3-dimethylphenyl)pyrrol-2-yl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
PubChem CID126120409
Molecular FormulaC23H20FN3O2
Molecular Weight389.43 g/mol
Exact Mass389.15
IUPAC Name(5E)-5-[[1-(2,3-dimethylphenyl)pyrrol-2-yl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
SMILESCc1cccc(-n2cccc2/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c1C
InChIInChI=1S/C23H20FN3O2/c1-15-7-5-11-21(16(15)2)26-12-6-9-18(26)13-20-22(28)27(23(29)25-20)14-17-8-3-4-10-19(17)24/h3-13H,14H2,1-2H3,(H,25,29)/b20-13+
InChIKeyINYRTALVACCTOF-DEDYPNTBSA-N
XLogP4.33
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(2,6-dimethylphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 68654624
(5E)-3-[(2-fluorophenyl)methyl]-5-[[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]methylidene]imidazolidine-2,4-dione
CID 126077666
(5E)-5-[[1-(2-methylphenyl)pyrrol-2-yl]methylidene]-3-propylimidazolidine-2,4-dione
CID 126250472
(5Z)-3-[(2-fluorophenyl)methyl]-5-[(3-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 900295
(5E)-3-[(2-fluorophenyl)methyl]-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione
CID 751920
(5E)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126078723
(5E)-5-[(2,5-dimethyl-1-naphthalen-1-ylpyrrol-3-yl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126077392
N-(3-methylphenyl)-2-[(4E)-4-[[1-(2-methylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126110470
methyl 5-[[4-[[1-(2-methylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 3502406
(5E)-5-[(2-chlorophenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126110932
5-[[2-(2,3-dimethylphenyl)-5-[(2-methylphenyl)methyl]-3-oxo-1H-pyrazol-4-yl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 75193785
5-[(2,4-dimethoxy-3-methylphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 2938431

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[1-(2,3-dimethylphenyl)pyrrol-2-yl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[1-(2,3-dimethylphenyl)pyrrol-2-yl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione (CID 126120409) is (5E)-5-[[1-(2,3-dimethylphenyl)pyrrol-2-yl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[1-(2,3-dimethylphenyl)pyrrol-2-yl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[1-(2,3-dimethylphenyl)pyrrol-2-yl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione is Cc1cccc(-n2cccc2/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c1C.
What is the InChIKey of (5E)-5-[[1-(2,3-dimethylphenyl)pyrrol-2-yl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is INYRTALVACCTOF-DEDYPNTBSA-N. The full InChI is InChI=1S/C23H20FN3O2/c1-15-7-5-11-21(16(15)2)26-12-6-9-18(26)13-20-22(28)27(23(29)25-20)14-17-8-3-4-10-19(17)24/h3-13H,14H2,1-2H3,(H,25,29)/b20-13+.
What are the key properties of (5E)-5-[[1-(2,3-dimethylphenyl)pyrrol-2-yl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione?
(5E)-5-[[1-(2,3-dimethylphenyl)pyrrol-2-yl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 389.43 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[1-(2,3-dimethylphenyl)pyrrol-2-yl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 126120409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).