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

C18H19N3O2 — CID 126250472

IUPAC(5E)-5-[[1-(2-methylphenyl)pyrrol-2-yl]methylidene]-3-propylimidazolidine-2,4-dione
SMILESCCCN1C(=O)N/C(=C/c2cccn2-c2ccccc2C)C1=O
InChIInChI=1S/C18H19N3O2/c1-3-10-21-17(22)15(19-18(21)23)12-14-8-6-11-20(14)16-9-5-4-7-13(16)2/h4-9,11-12H,3,10H2,1-2H3,(H,19,23)/b15-12+
InChIKeyARXOMALBJOQICC-NTCAYCPXSA-N
MW309.37 g/mol
LogP3.09
Rot. Bonds4

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

(5E)-5-[[1-(2-methylphenyl)pyrrol-2-yl]methylidene]-3-propylimidazolidine-2,4-dione (PubChem CID 126250472) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is (5E)-5-[[1-(2-methylphenyl)pyrrol-2-yl]methylidene]-3-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[1-(2-methylphenyl)pyrrol-2-yl]methylidene]-3-propylimidazolidine-2,4-dione
PubChem CID126250472
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name(5E)-5-[[1-(2-methylphenyl)pyrrol-2-yl]methylidene]-3-propylimidazolidine-2,4-dione
SMILESCCCN1C(=O)N/C(=C/c2cccn2-c2ccccc2C)C1=O
InChIInChI=1S/C18H19N3O2/c1-3-10-21-17(22)15(19-18(21)23)12-14-8-6-11-20(14)16-9-5-4-7-13(16)2/h4-9,11-12H,3,10H2,1-2H3,(H,19,23)/b15-12+
InChIKeyARXOMALBJOQICC-NTCAYCPXSA-N
XLogP3.09
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.09
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-(2,4-dimethylphenyl)pyrrol-2-yl]methylidene]-3-propylimidazolidine-2,4-dione
CID 126251456
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-[[1-(2-methylphenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione
CID 1281310
(5E)-5-[[1-(2,3-dimethylphenyl)pyrrol-2-yl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126120409
(5E)-5-[[1-(2,4-dimethylphenyl)pyrrol-2-yl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126154995
(5E)-3-ethyl-5-[(1-methylpyrrol-2-yl)methylidene]imidazolidine-2,4-dione
CID 126248673
(5E)-3-propyl-5-[[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]methylidene]imidazolidine-2,4-dione
CID 126228553
5-[[5-(4-chlorophenyl)-2-(2-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylidene]-3-propylimidazolidine-2,4-dione
CID 75193982
3-ethyl-5-[(2-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 131856720
(5Z)-3-ethyl-5-[(2-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 45095770
2-[4-[[1-(2,4-dimethylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 5012476

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[1-(2-methylphenyl)pyrrol-2-yl]methylidene]-3-propylimidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[1-(2-methylphenyl)pyrrol-2-yl]methylidene]-3-propylimidazolidine-2,4-dione (CID 126250472) is (5E)-5-[[1-(2-methylphenyl)pyrrol-2-yl]methylidene]-3-propylimidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[1-(2-methylphenyl)pyrrol-2-yl]methylidene]-3-propylimidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[1-(2-methylphenyl)pyrrol-2-yl]methylidene]-3-propylimidazolidine-2,4-dione is CCCN1C(=O)N/C(=C/c2cccn2-c2ccccc2C)C1=O.
What is the InChIKey of (5E)-5-[[1-(2-methylphenyl)pyrrol-2-yl]methylidene]-3-propylimidazolidine-2,4-dione?
The InChIKey is ARXOMALBJOQICC-NTCAYCPXSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-3-10-21-17(22)15(19-18(21)23)12-14-8-6-11-20(14)16-9-5-4-7-13(16)2/h4-9,11-12H,3,10H2,1-2H3,(H,19,23)/b15-12+.
What are the key properties of (5E)-5-[[1-(2-methylphenyl)pyrrol-2-yl]methylidene]-3-propylimidazolidine-2,4-dione?
(5E)-5-[[1-(2-methylphenyl)pyrrol-2-yl]methylidene]-3-propylimidazolidine-2,4-dione has a molecular weight of 309.37 g/mol, XLogP of 3.09, 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-methylphenyl)pyrrol-2-yl]methylidene]-3-propylimidazolidine-2,4-dione is sourced from PubChem (CID 126250472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).