3-(2-imidazol-1-ylethyl)-5,5-dimethylimidazolidine-2,4-dione

C10H14N4O2 — CID 47164586

IUPAC3-(2-imidazol-1-ylethyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCn2ccnc2)C1=O
InChIInChI=1S/C10H14N4O2/c1-10(2)8(15)14(9(16)12-10)6-5-13-4-3-11-7-13/h3-4,7H,5-6H2,1-2H3,(H,12,16)
InChIKeyUSNUJZRMQSHBOW-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.21
Rot. Bonds3

About 3-(2-imidazol-1-ylethyl)-5,5-dimethylimidazolidine-2,4-dione

3-(2-imidazol-1-ylethyl)-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 47164586) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 3-(2-imidazol-1-ylethyl)-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-imidazol-1-ylethyl)-5,5-dimethylimidazolidine-2,4-dione
PubChem CID47164586
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name3-(2-imidazol-1-ylethyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCn2ccnc2)C1=O
InChIInChI=1S/C10H14N4O2/c1-10(2)8(15)14(9(16)12-10)6-5-13-4-3-11-7-13/h3-4,7H,5-6H2,1-2H3,(H,12,16)
InChIKeyUSNUJZRMQSHBOW-UHFFFAOYSA-N
XLogP0.21
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-imidazol-1-ylethyl)-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-(2-imidazol-1-ylethyl)-5,5-dimethylimidazolidine-2,4-dione (CID 47164586) is 3-(2-imidazol-1-ylethyl)-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(2-imidazol-1-ylethyl)-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-(2-imidazol-1-ylethyl)-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CCn2ccnc2)C1=O.
What is the InChIKey of 3-(2-imidazol-1-ylethyl)-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is USNUJZRMQSHBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-10(2)8(15)14(9(16)12-10)6-5-13-4-3-11-7-13/h3-4,7H,5-6H2,1-2H3,(H,12,16).
What are the key properties of 3-(2-imidazol-1-ylethyl)-5,5-dimethylimidazolidine-2,4-dione?
3-(2-imidazol-1-ylethyl)-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 222.25 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-imidazol-1-ylethyl)-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 47164586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).