3-benzyl-1-cyclopropylimidazolidine-2,4-dione

C13H14N2O2 — CID 87022344

IUPAC3-benzyl-1-cyclopropylimidazolidine-2,4-dione
SMILESO=C1CN(C2CC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C13H14N2O2/c16-12-9-14(11-6-7-11)13(17)15(12)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyMBQKQIQUESUCML-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.61
Rot. Bonds3

About 3-benzyl-1-cyclopropylimidazolidine-2,4-dione

3-benzyl-1-cyclopropylimidazolidine-2,4-dione (PubChem CID 87022344) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-benzyl-1-cyclopropylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-1-cyclopropylimidazolidine-2,4-dione
PubChem CID87022344
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name3-benzyl-1-cyclopropylimidazolidine-2,4-dione
SMILESO=C1CN(C2CC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C13H14N2O2/c16-12-9-14(11-6-7-11)13(17)15(12)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyMBQKQIQUESUCML-UHFFFAOYSA-N
XLogP1.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)methyl]benzoic acid
CID 167942155
1-cyclopropyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 87022452
3-[(2-bromophenyl)methyl]-1-cyclopropylimidazolidine-2,4-dione
CID 87022605
1-cyclopropyl-3-phenacylimidazolidine-2,4-dione
CID 87022456
3-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-cyclopropylimidazolidine-2,4-dione
CID 87022751
1-cyclopropyl-3-[2-(dimethylamino)-2-phenylethyl]imidazolidine-2,4-dione
CID 102561143
1-benzyl-3,3,4,4-tetradeuteriopyrrolidine-2,5-dione
CID 171688557
2-(3-benzyl-2,4-dioxoimidazolidin-1-yl)acetic acid
CID 70097452
3-benzyl-1-(2-methoxyethyl)imidazolidine-2,4-dione
CID 103935477
N-(2-chlorophenyl)-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 87022378
1-cyclopropyl-3-[(2-fluoro-6-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 86960667
1-cyclopropyl-3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione
CID 87022799

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-cyclopropylimidazolidine-2,4-dione?
The IUPAC name of 3-benzyl-1-cyclopropylimidazolidine-2,4-dione (CID 87022344) is 3-benzyl-1-cyclopropylimidazolidine-2,4-dione.
What is the SMILES notation for 3-benzyl-1-cyclopropylimidazolidine-2,4-dione?
The canonical SMILES for 3-benzyl-1-cyclopropylimidazolidine-2,4-dione is O=C1CN(C2CC2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-1-cyclopropylimidazolidine-2,4-dione?
The InChIKey is MBQKQIQUESUCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-12-9-14(11-6-7-11)13(17)15(12)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2.
What are the key properties of 3-benzyl-1-cyclopropylimidazolidine-2,4-dione?
3-benzyl-1-cyclopropylimidazolidine-2,4-dione has a molecular weight of 230.27 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-cyclopropylimidazolidine-2,4-dione is sourced from PubChem (CID 87022344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).