5-(2,6-dichlorophenyl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one

C12H13Cl2N3O2 — CID 138390703

IUPAC5-(2,6-dichlorophenyl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CCOC)C1c1c(Cl)cccc1Cl
InChIInChI=1S/C12H13Cl2N3O2/c1-19-6-5-17-10(11(15)16-12(17)18)9-7(13)3-2-4-8(9)14/h2-4,10H,5-6H2,1H3,(H2,15,16,18)
InChIKeyWXBDFBRXKRYGMG-UHFFFAOYSA-N
MW302.16 g/mol
LogP2.68
Rot. Bonds4

About 5-(2,6-dichlorophenyl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one

5-(2,6-dichlorophenyl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one (PubChem CID 138390703) has the molecular formula C12H13Cl2N3O2 and a molecular weight of 302.16 g/mol. Its IUPAC name is 5-(2,6-dichlorophenyl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one.

Molecular Properties

Compound Name5-(2,6-dichlorophenyl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one
PubChem CID138390703
Molecular FormulaC12H13Cl2N3O2
Molecular Weight302.16 g/mol
Exact Mass301.04
IUPAC Name5-(2,6-dichlorophenyl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CCOC)C1c1c(Cl)cccc1Cl
InChIInChI=1S/C12H13Cl2N3O2/c1-19-6-5-17-10(11(15)16-12(17)18)9-7(13)3-2-4-8(9)14/h2-4,10H,5-6H2,1H3,(H2,15,16,18)
InChIKeyWXBDFBRXKRYGMG-UHFFFAOYSA-N
XLogP2.68
TPSA65.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-ethylphenyl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one
CID 138390315
4-imino-1-(2-methoxyethyl)-5-thiophen-3-ylimidazolidin-2-one
CID 138390169
5-(5-bromothiophen-2-yl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one
CID 138389790
5-(2-chloro-6-fluorophenyl)-4-imino-1-(2-methylpropyl)imidazolidin-2-one
CID 138388787
4-imino-1-(2-methoxyethyl)-5-(4-propan-2-yloxyphenyl)imidazolidin-2-one
CID 138390991
4-imino-1-(2-methoxyethyl)-5-(1-methylpyrazol-4-yl)imidazolidin-2-one
CID 138390235
5-butyl-4-imino-1-(2-methoxyethyl)imidazolidin-2-one
CID 138390237
1-ethyl-4-imino-5-(2,4,6-trimethoxyphenyl)imidazolidin-2-one
CID 138388253
4-imino-1-methyl-5-naphthalen-1-ylimidazolidin-2-one
CID 138388242
1-cyclopropyl-4-imino-5-[3-(methoxymethyl)phenyl]imidazolidin-2-one
CID 138389220
4-imino-5-[2-(methoxymethyl)phenyl]-1-propan-2-ylimidazolidin-2-one
CID 138389882
5-(2-bromo-4-methylphenyl)-4-imino-1-propylimidazolidin-2-one
CID 138391346

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dichlorophenyl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one?
The IUPAC name of 5-(2,6-dichlorophenyl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one (CID 138390703) is 5-(2,6-dichlorophenyl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one.
What is the SMILES notation for 5-(2,6-dichlorophenyl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one?
The canonical SMILES for 5-(2,6-dichlorophenyl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one is [H]/N=C1\NC(=O)N(CCOC)C1c1c(Cl)cccc1Cl.
What is the InChIKey of 5-(2,6-dichlorophenyl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one?
The InChIKey is WXBDFBRXKRYGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O2/c1-19-6-5-17-10(11(15)16-12(17)18)9-7(13)3-2-4-8(9)14/h2-4,10H,5-6H2,1H3,(H2,15,16,18).
What are the key properties of 5-(2,6-dichlorophenyl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one?
5-(2,6-dichlorophenyl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one has a molecular weight of 302.16 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dichlorophenyl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one is sourced from PubChem (CID 138390703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).