3-[2-(2-methylimidazol-1-yl)ethyl]-5,5-diphenylimidazolidine-2,4-dione

C21H20N4O2 — CID 75399916

IUPAC3-[2-(2-methylimidazol-1-yl)ethyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESCc1nccn1CCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C21H20N4O2/c1-16-22-12-13-24(16)14-15-25-19(26)21(23-20(25)27,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13H,14-15H2,1H3,(H,23,27)
InChIKeyKMQPOPIIMAFSOP-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.69
Rot. Bonds5

About 3-[2-(2-methylimidazol-1-yl)ethyl]-5,5-diphenylimidazolidine-2,4-dione

3-[2-(2-methylimidazol-1-yl)ethyl]-5,5-diphenylimidazolidine-2,4-dione (PubChem CID 75399916) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 3-[2-(2-methylimidazol-1-yl)ethyl]-5,5-diphenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(2-methylimidazol-1-yl)ethyl]-5,5-diphenylimidazolidine-2,4-dione
PubChem CID75399916
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name3-[2-(2-methylimidazol-1-yl)ethyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESCc1nccn1CCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C21H20N4O2/c1-16-22-12-13-24(16)14-15-25-19(26)21(23-20(25)27,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13H,14-15H2,1H3,(H,23,27)
InChIKeyKMQPOPIIMAFSOP-UHFFFAOYSA-N
XLogP2.69
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-decyl-5,5-diphenylimidazolidine-2,4-dione
CID 11696827
5-methyl-3-[4-(2-methylimidazol-1-yl)butyl]-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione
CID 75431270
5,5-diphenyl-3-(3-sulfanylpropyl)imidazolidine-2,4-dione
CID 102066490
3-[(4-methylphenyl)methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 4810451
3,3-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine-2,5-dione
CID 64879598
[2-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methoxy]-2-oxoethyl]-trimethylazanium
CID 54027160
3-[(5-chloro-1-methylimidazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 78814451
(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl-bis(2-methylpropyl)azanium
CID 9109602
2-amino-5-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)pentanoic acid
CID 3084726
5,5-diphenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 21481466
5-(2,4-dimethylphenyl)-5-methyl-3-[3-(2-methylimidazol-1-yl)propyl]imidazolidine-2,4-dione
CID 84593571
N-[4-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)butyl]-2-pyridin-4-ylacetamide
CID 70826266

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylimidazol-1-yl)ethyl]-5,5-diphenylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(2-methylimidazol-1-yl)ethyl]-5,5-diphenylimidazolidine-2,4-dione (CID 75399916) is 3-[2-(2-methylimidazol-1-yl)ethyl]-5,5-diphenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(2-methylimidazol-1-yl)ethyl]-5,5-diphenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(2-methylimidazol-1-yl)ethyl]-5,5-diphenylimidazolidine-2,4-dione is Cc1nccn1CCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O.
What is the InChIKey of 3-[2-(2-methylimidazol-1-yl)ethyl]-5,5-diphenylimidazolidine-2,4-dione?
The InChIKey is KMQPOPIIMAFSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-16-22-12-13-24(16)14-15-25-19(26)21(23-20(25)27,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13H,14-15H2,1H3,(H,23,27).
What are the key properties of 3-[2-(2-methylimidazol-1-yl)ethyl]-5,5-diphenylimidazolidine-2,4-dione?
3-[2-(2-methylimidazol-1-yl)ethyl]-5,5-diphenylimidazolidine-2,4-dione has a molecular weight of 360.42 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylimidazol-1-yl)ethyl]-5,5-diphenylimidazolidine-2,4-dione is sourced from PubChem (CID 75399916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).