5-(2-ethylphenyl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one

C14H19N3O2 — CID 138390315

IUPAC5-(2-ethylphenyl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CCOC)C1c1ccccc1CC
InChIInChI=1S/C14H19N3O2/c1-3-10-6-4-5-7-11(10)12-13(15)16-14(18)17(12)8-9-19-2/h4-7,12H,3,8-9H2,1-2H3,(H2,15,16,18)
InChIKeyUKESIVRPYHKHPM-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.94
Rot. Bonds5

About 5-(2-ethylphenyl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one

5-(2-ethylphenyl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one (PubChem CID 138390315) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-(2-ethylphenyl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one.

Molecular Properties

Compound Name5-(2-ethylphenyl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one
PubChem CID138390315
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name5-(2-ethylphenyl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CCOC)C1c1ccccc1CC
InChIInChI=1S/C14H19N3O2/c1-3-10-6-4-5-7-11(10)12-13(15)16-14(18)17(12)8-9-19-2/h4-7,12H,3,8-9H2,1-2H3,(H2,15,16,18)
InChIKeyUKESIVRPYHKHPM-UHFFFAOYSA-N
XLogP1.94
TPSA65.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 5-(2-ethylphenyl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one?
The IUPAC name of 5-(2-ethylphenyl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one (CID 138390315) is 5-(2-ethylphenyl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one.
What is the SMILES notation for 5-(2-ethylphenyl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one?
The canonical SMILES for 5-(2-ethylphenyl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one is [H]/N=C1\NC(=O)N(CCOC)C1c1ccccc1CC.
What is the InChIKey of 5-(2-ethylphenyl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one?
The InChIKey is UKESIVRPYHKHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-10-6-4-5-7-11(10)12-13(15)16-14(18)17(12)8-9-19-2/h4-7,12H,3,8-9H2,1-2H3,(H2,15,16,18).
What are the key properties of 5-(2-ethylphenyl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one?
5-(2-ethylphenyl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one has a molecular weight of 261.32 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylphenyl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one is sourced from PubChem (CID 138390315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).