3-[(6-chloro-2-pyridinyl)methyl]-5,5-dimethylimidazolidine-2,4-dione

C11H12ClN3O2 — CID 79240493

IUPAC3-[(6-chloro-2-pyridinyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(Cc2cccc(Cl)n2)C1=O
InChIInChI=1S/C11H12ClN3O2/c1-11(2)9(16)15(10(17)14-11)6-7-4-3-5-8(12)13-7/h3-5H,6H2,1-2H3,(H,14,17)
InChIKeyLHOYRAKDOVXMKF-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.57
Rot. Bonds2

About 3-[(6-chloro-2-pyridinyl)methyl]-5,5-dimethylimidazolidine-2,4-dione

3-[(6-chloro-2-pyridinyl)methyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 79240493) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 3-[(6-chloro-2-pyridinyl)methyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(6-chloro-2-pyridinyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID79240493
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name3-[(6-chloro-2-pyridinyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(Cc2cccc(Cl)n2)C1=O
InChIInChI=1S/C11H12ClN3O2/c1-11(2)9(16)15(10(17)14-11)6-7-4-3-5-8(12)13-7/h3-5H,6H2,1-2H3,(H,14,17)
InChIKeyLHOYRAKDOVXMKF-UHFFFAOYSA-N
XLogP1.57
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-2-pyridinyl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[(6-chloro-2-pyridinyl)methyl]-5,5-dimethylimidazolidine-2,4-dione (CID 79240493) is 3-[(6-chloro-2-pyridinyl)methyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(6-chloro-2-pyridinyl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(6-chloro-2-pyridinyl)methyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(Cc2cccc(Cl)n2)C1=O.
What is the InChIKey of 3-[(6-chloro-2-pyridinyl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is LHOYRAKDOVXMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-11(2)9(16)15(10(17)14-11)6-7-4-3-5-8(12)13-7/h3-5H,6H2,1-2H3,(H,14,17).
What are the key properties of 3-[(6-chloro-2-pyridinyl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[(6-chloro-2-pyridinyl)methyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 253.69 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-2-pyridinyl)methyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 79240493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).