3-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-5,5-dimethylimidazolidine-2,4-dione

C14H17ClN4O2 — CID 58987854

IUPAC3-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-5,5-dimethylimidazolidine-2,4-dione
SMILESCNc1ccc(Cl)cc1/C(C)=N/N1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C14H17ClN4O2/c1-8(10-7-9(15)5-6-11(10)16-4)18-19-12(20)14(2,3)17-13(19)21/h5-7,16H,1-4H3,(H,17,21)/b18-8+
InChIKeyIDGKTEYDSXTKKU-QGMBQPNBSA-N
MW308.77 g/mol
LogP2.44
Rot. Bonds3

About 3-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-5,5-dimethylimidazolidine-2,4-dione

3-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 58987854) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 3-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID58987854
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name3-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-5,5-dimethylimidazolidine-2,4-dione
SMILESCNc1ccc(Cl)cc1/C(C)=N/N1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C14H17ClN4O2/c1-8(10-7-9(15)5-6-11(10)16-4)18-19-12(20)14(2,3)17-13(19)21/h5-7,16H,1-4H3,(H,17,21)/b18-8+
InChIKeyIDGKTEYDSXTKKU-QGMBQPNBSA-N
XLogP2.44
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-5,5-dimethylimidazolidine-2,4-dione (CID 58987854) is 3-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-5,5-dimethylimidazolidine-2,4-dione is CNc1ccc(Cl)cc1/C(C)=N/N1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 3-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is IDGKTEYDSXTKKU-QGMBQPNBSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-8(10-7-9(15)5-6-11(10)16-4)18-19-12(20)14(2,3)17-13(19)21/h5-7,16H,1-4H3,(H,17,21)/b18-8+.
What are the key properties of 3-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-5,5-dimethylimidazolidine-2,4-dione?
3-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 308.77 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 58987854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).