1-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]imidazolidine-2,4-dione

C12H13ClN4O2 — CID 91500784

IUPAC1-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]imidazolidine-2,4-dione
SMILESCNc1ccc(Cl)cc1/C(C)=N\N1CC(=O)NC1=O
InChIInChI=1S/C12H13ClN4O2/c1-7(16-17-6-11(18)15-12(17)19)9-5-8(13)3-4-10(9)14-2/h3-5,14H,6H2,1-2H3,(H,15,18,19)/b16-7-
InChIKeyDMQHFOZGLWLNFN-APSNUPSMSA-N
MW280.72 g/mol
LogP1.66
Rot. Bonds3

About 1-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]imidazolidine-2,4-dione

1-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]imidazolidine-2,4-dione (PubChem CID 91500784) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.72 g/mol. Its IUPAC name is 1-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]imidazolidine-2,4-dione
PubChem CID91500784
Molecular FormulaC12H13ClN4O2
Molecular Weight280.72 g/mol
Exact Mass280.07
IUPAC Name1-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]imidazolidine-2,4-dione
SMILESCNc1ccc(Cl)cc1/C(C)=N\N1CC(=O)NC1=O
InChIInChI=1S/C12H13ClN4O2/c1-7(16-17-6-11(18)15-12(17)19)9-5-8(13)3-4-10(9)14-2/h3-5,14H,6H2,1-2H3,(H,15,18,19)/b16-7-
InChIKeyDMQHFOZGLWLNFN-APSNUPSMSA-N
XLogP1.66
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 51.66
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 1-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]imidazolidine-2,4-dione?
The IUPAC name of 1-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]imidazolidine-2,4-dione (CID 91500784) is 1-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]imidazolidine-2,4-dione?
The canonical SMILES for 1-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]imidazolidine-2,4-dione is CNc1ccc(Cl)cc1/C(C)=N\N1CC(=O)NC1=O.
What is the InChIKey of 1-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]imidazolidine-2,4-dione?
The InChIKey is DMQHFOZGLWLNFN-APSNUPSMSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c1-7(16-17-6-11(18)15-12(17)19)9-5-8(13)3-4-10(9)14-2/h3-5,14H,6H2,1-2H3,(H,15,18,19)/b16-7-.
What are the key properties of 1-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]imidazolidine-2,4-dione?
1-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]imidazolidine-2,4-dione has a molecular weight of 280.72 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]imidazolidine-2,4-dione is sourced from PubChem (CID 91500784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).