3-[2-[3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione

C16H23N5O3 — CID 110104871

IUPAC3-[2-[3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCc1cn(C)c(C2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)n1
InChIInChI=1S/C16H23N5O3/c1-10-7-19(4)13(17-10)11-5-6-20(8-11)12(22)9-21-14(23)16(2,3)18-15(21)24/h7,11H,5-6,8-9H2,1-4H3,(H,18,24)
InChIKeyVRSVRKPMYZRREC-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.37
Rot. Bonds3

About 3-[2-[3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione

3-[2-[3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 110104871) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-[2-[3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID110104871
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name3-[2-[3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCc1cn(C)c(C2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)n1
InChIInChI=1S/C16H23N5O3/c1-10-7-19(4)13(17-10)11-5-6-20(8-11)12(22)9-21-14(23)16(2,3)18-15(21)24/h7,11H,5-6,8-9H2,1-4H3,(H,18,24)
InChIKeyVRSVRKPMYZRREC-UHFFFAOYSA-N
XLogP0.37
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 110104871) is 3-[2-[3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione is Cc1cn(C)c(C2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)n1.
What is the InChIKey of 3-[2-[3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is VRSVRKPMYZRREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-10-7-19(4)13(17-10)11-5-6-20(8-11)12(22)9-21-14(23)16(2,3)18-15(21)24/h7,11H,5-6,8-9H2,1-4H3,(H,18,24).
What are the key properties of 3-[2-[3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-[3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 333.39 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 110104871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).