(5E)-5-[[1-(2,4-dimethylphenyl)pyrrol-2-yl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione

C19H19N3O2 — CID 126154995

IUPAC(5E)-5-[[1-(2,4-dimethylphenyl)pyrrol-2-yl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
SMILESC=CCN1C(=O)N/C(=C/c2cccn2-c2ccc(C)cc2C)C1=O
InChIInChI=1S/C19H19N3O2/c1-4-9-22-18(23)16(20-19(22)24)12-15-6-5-10-21(15)17-8-7-13(2)11-14(17)3/h4-8,10-12H,1,9H2,2-3H3,(H,20,24)/b16-12+
InChIKeyZZQJARZUOWMBDV-FOWTUZBSSA-N
MW321.38 g/mol
LogP3.17
Rot. Bonds4

About (5E)-5-[[1-(2,4-dimethylphenyl)pyrrol-2-yl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione

(5E)-5-[[1-(2,4-dimethylphenyl)pyrrol-2-yl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione (PubChem CID 126154995) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is (5E)-5-[[1-(2,4-dimethylphenyl)pyrrol-2-yl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[1-(2,4-dimethylphenyl)pyrrol-2-yl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
PubChem CID126154995
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name(5E)-5-[[1-(2,4-dimethylphenyl)pyrrol-2-yl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
SMILESC=CCN1C(=O)N/C(=C/c2cccn2-c2ccc(C)cc2C)C1=O
InChIInChI=1S/C19H19N3O2/c1-4-9-22-18(23)16(20-19(22)24)12-15-6-5-10-21(15)17-8-7-13(2)11-14(17)3/h4-8,10-12H,1,9H2,2-3H3,(H,20,24)/b16-12+
InChIKeyZZQJARZUOWMBDV-FOWTUZBSSA-N
XLogP3.17
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5E)-5-[[1-(2,4-dimethylphenyl)pyrrol-2-yl]methylidene]-3-propylimidazolidine-2,4-dione
CID 126251456
2-[4-[[1-(2,4-dimethylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 5012476
(5E)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126136164
(5E)-5-[[1-(2-methylphenyl)pyrrol-2-yl]methylidene]-3-propylimidazolidine-2,4-dione
CID 126250472
N-(3-methylphenyl)-2-[(4E)-4-[[1-(2-methylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126110470
(5E)-5-[[1-(2,4-dimethylphenyl)pyrrol-2-yl]methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione
CID 126051513
(5E)-3-[(4-chlorophenyl)methyl]-5-[[1-(2,4-dimethylphenyl)pyrrol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126240594
(5E)-5-[[2,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrrol-3-yl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126137900
(5E)-5-[[1-(2,3-dimethylphenyl)pyrrol-2-yl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126120409
(5E)-5-[(2,3-dimethoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126148692
(5E)-5-[[1-(2,4-dimethylphenyl)pyrrol-2-yl]methylidene]-1-(2-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 126178374
methyl 5-[[4-[[1-(2-methylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 3502406

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[1-(2,4-dimethylphenyl)pyrrol-2-yl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[1-(2,4-dimethylphenyl)pyrrol-2-yl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione (CID 126154995) is (5E)-5-[[1-(2,4-dimethylphenyl)pyrrol-2-yl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[1-(2,4-dimethylphenyl)pyrrol-2-yl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[1-(2,4-dimethylphenyl)pyrrol-2-yl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione is C=CCN1C(=O)N/C(=C/c2cccn2-c2ccc(C)cc2C)C1=O.
What is the InChIKey of (5E)-5-[[1-(2,4-dimethylphenyl)pyrrol-2-yl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione?
The InChIKey is ZZQJARZUOWMBDV-FOWTUZBSSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-4-9-22-18(23)16(20-19(22)24)12-15-6-5-10-21(15)17-8-7-13(2)11-14(17)3/h4-8,10-12H,1,9H2,2-3H3,(H,20,24)/b16-12+.
What are the key properties of (5E)-5-[[1-(2,4-dimethylphenyl)pyrrol-2-yl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione?
(5E)-5-[[1-(2,4-dimethylphenyl)pyrrol-2-yl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione has a molecular weight of 321.38 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[1-(2,4-dimethylphenyl)pyrrol-2-yl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione is sourced from PubChem (CID 126154995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).