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

C19H21N3O2 — CID 126251456

IUPAC(5E)-5-[[1-(2,4-dimethylphenyl)pyrrol-2-yl]methylidene]-3-propylimidazolidine-2,4-dione
SMILESCCCN1C(=O)N/C(=C/c2cccn2-c2ccc(C)cc2C)C1=O
InChIInChI=1S/C19H21N3O2/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/h5-8,10-12H,4,9H2,1-3H3,(H,20,24)/b16-12+
InChIKeyQDTCYRNOZAVCDC-FOWTUZBSSA-N
MW323.40 g/mol
LogP3.40
Rot. Bonds4

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

(5E)-5-[[1-(2,4-dimethylphenyl)pyrrol-2-yl]methylidene]-3-propylimidazolidine-2,4-dione (PubChem CID 126251456) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is (5E)-5-[[1-(2,4-dimethylphenyl)pyrrol-2-yl]methylidene]-3-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[1-(2,4-dimethylphenyl)pyrrol-2-yl]methylidene]-3-propylimidazolidine-2,4-dione
PubChem CID126251456
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name(5E)-5-[[1-(2,4-dimethylphenyl)pyrrol-2-yl]methylidene]-3-propylimidazolidine-2,4-dione
SMILESCCCN1C(=O)N/C(=C/c2cccn2-c2ccc(C)cc2C)C1=O
InChIInChI=1S/C19H21N3O2/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/h5-8,10-12H,4,9H2,1-3H3,(H,20,24)/b16-12+
InChIKeyQDTCYRNOZAVCDC-FOWTUZBSSA-N
XLogP3.40
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.40
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

(5E)-5-[[1-(2-methylphenyl)pyrrol-2-yl]methylidene]-3-propylimidazolidine-2,4-dione
CID 126250472
(5E)-5-[[1-(2,4-dimethylphenyl)pyrrol-2-yl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126154995
2-[4-[[1-(2,4-dimethylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 5012476
(5E)-3-propyl-5-[[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]methylidene]imidazolidine-2,4-dione
CID 126228553
N-(3-methylphenyl)-2-[(4E)-4-[[1-(2-methylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126110470
(5E)-3-ethyl-5-[(1-methylpyrrol-2-yl)methylidene]imidazolidine-2,4-dione
CID 126248673
(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-[[1-(2,3-dimethylphenyl)pyrrol-2-yl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126120409
(5E)-3-ethyl-5-[(2,4,6-trimethylphenyl)methylidene]imidazolidine-2,4-dione
CID 126256878
methyl 5-[[4-[[1-(2-methylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 3502406
(5E)-5-[[3,5-diiodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione
CID 126248041

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[1-(2,4-dimethylphenyl)pyrrol-2-yl]methylidene]-3-propylimidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[1-(2,4-dimethylphenyl)pyrrol-2-yl]methylidene]-3-propylimidazolidine-2,4-dione (CID 126251456) is (5E)-5-[[1-(2,4-dimethylphenyl)pyrrol-2-yl]methylidene]-3-propylimidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[1-(2,4-dimethylphenyl)pyrrol-2-yl]methylidene]-3-propylimidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[1-(2,4-dimethylphenyl)pyrrol-2-yl]methylidene]-3-propylimidazolidine-2,4-dione is CCCN1C(=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-propylimidazolidine-2,4-dione?
The InChIKey is QDTCYRNOZAVCDC-FOWTUZBSSA-N. The full InChI is InChI=1S/C19H21N3O2/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/h5-8,10-12H,4,9H2,1-3H3,(H,20,24)/b16-12+.
What are the key properties of (5E)-5-[[1-(2,4-dimethylphenyl)pyrrol-2-yl]methylidene]-3-propylimidazolidine-2,4-dione?
(5E)-5-[[1-(2,4-dimethylphenyl)pyrrol-2-yl]methylidene]-3-propylimidazolidine-2,4-dione has a molecular weight of 323.40 g/mol, XLogP of 3.40, 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-propylimidazolidine-2,4-dione is sourced from PubChem (CID 126251456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).