1-ethyl-5-(4-ethylphenyl)-4-iminoimidazolidin-2-one

C13H17N3O — CID 138389994

IUPAC1-ethyl-5-(4-ethylphenyl)-4-iminoimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC)C1c1ccc(CC)cc1
InChIInChI=1S/C13H17N3O/c1-3-9-5-7-10(8-6-9)11-12(14)15-13(17)16(11)4-2/h5-8,11H,3-4H2,1-2H3,(H2,14,15,17)
InChIKeyMZTWMROSKRVWFV-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.31
Rot. Bonds3

About 1-ethyl-5-(4-ethylphenyl)-4-iminoimidazolidin-2-one

1-ethyl-5-(4-ethylphenyl)-4-iminoimidazolidin-2-one (PubChem CID 138389994) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-ethyl-5-(4-ethylphenyl)-4-iminoimidazolidin-2-one.

Molecular Properties

Compound Name1-ethyl-5-(4-ethylphenyl)-4-iminoimidazolidin-2-one
PubChem CID138389994
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-ethyl-5-(4-ethylphenyl)-4-iminoimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC)C1c1ccc(CC)cc1
InChIInChI=1S/C13H17N3O/c1-3-9-5-7-10(8-6-9)11-12(14)15-13(17)16(11)4-2/h5-8,11H,3-4H2,1-2H3,(H2,14,15,17)
InChIKeyMZTWMROSKRVWFV-UHFFFAOYSA-N
XLogP2.31
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(4-ethylphenyl)-4-iminoimidazolidin-2-one?
The IUPAC name of 1-ethyl-5-(4-ethylphenyl)-4-iminoimidazolidin-2-one (CID 138389994) is 1-ethyl-5-(4-ethylphenyl)-4-iminoimidazolidin-2-one.
What is the SMILES notation for 1-ethyl-5-(4-ethylphenyl)-4-iminoimidazolidin-2-one?
The canonical SMILES for 1-ethyl-5-(4-ethylphenyl)-4-iminoimidazolidin-2-one is [H]/N=C1\NC(=O)N(CC)C1c1ccc(CC)cc1.
What is the InChIKey of 1-ethyl-5-(4-ethylphenyl)-4-iminoimidazolidin-2-one?
The InChIKey is MZTWMROSKRVWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-9-5-7-10(8-6-9)11-12(14)15-13(17)16(11)4-2/h5-8,11H,3-4H2,1-2H3,(H2,14,15,17).
What are the key properties of 1-ethyl-5-(4-ethylphenyl)-4-iminoimidazolidin-2-one?
1-ethyl-5-(4-ethylphenyl)-4-iminoimidazolidin-2-one has a molecular weight of 231.30 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(4-ethylphenyl)-4-iminoimidazolidin-2-one is sourced from PubChem (CID 138389994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).