1-ethyl-4-imino-5-(4-propan-2-ylphenyl)imidazolidin-2-one

C14H19N3O — CID 138389096

IUPAC1-ethyl-4-imino-5-(4-propan-2-ylphenyl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC)C1c1ccc(C(C)C)cc1
InChIInChI=1S/C14H19N3O/c1-4-17-12(13(15)16-14(17)18)11-7-5-10(6-8-11)9(2)3/h5-9,12H,4H2,1-3H3,(H2,15,16,18)
InChIKeyMFFCEQCVQZCDTM-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.87
Rot. Bonds3

About 1-ethyl-4-imino-5-(4-propan-2-ylphenyl)imidazolidin-2-one

1-ethyl-4-imino-5-(4-propan-2-ylphenyl)imidazolidin-2-one (PubChem CID 138389096) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-ethyl-4-imino-5-(4-propan-2-ylphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-ethyl-4-imino-5-(4-propan-2-ylphenyl)imidazolidin-2-one
PubChem CID138389096
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-ethyl-4-imino-5-(4-propan-2-ylphenyl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC)C1c1ccc(C(C)C)cc1
InChIInChI=1S/C14H19N3O/c1-4-17-12(13(15)16-14(17)18)11-7-5-10(6-8-11)9(2)3/h5-9,12H,4H2,1-3H3,(H2,15,16,18)
InChIKeyMFFCEQCVQZCDTM-UHFFFAOYSA-N
XLogP2.87
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.87
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-4-imino-5-(4-propan-2-ylphenyl)imidazolidin-2-one?
The IUPAC name of 1-ethyl-4-imino-5-(4-propan-2-ylphenyl)imidazolidin-2-one (CID 138389096) is 1-ethyl-4-imino-5-(4-propan-2-ylphenyl)imidazolidin-2-one.
What is the SMILES notation for 1-ethyl-4-imino-5-(4-propan-2-ylphenyl)imidazolidin-2-one?
The canonical SMILES for 1-ethyl-4-imino-5-(4-propan-2-ylphenyl)imidazolidin-2-one is [H]/N=C1\NC(=O)N(CC)C1c1ccc(C(C)C)cc1.
What is the InChIKey of 1-ethyl-4-imino-5-(4-propan-2-ylphenyl)imidazolidin-2-one?
The InChIKey is MFFCEQCVQZCDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-17-12(13(15)16-14(17)18)11-7-5-10(6-8-11)9(2)3/h5-9,12H,4H2,1-3H3,(H2,15,16,18).
What are the key properties of 1-ethyl-4-imino-5-(4-propan-2-ylphenyl)imidazolidin-2-one?
1-ethyl-4-imino-5-(4-propan-2-ylphenyl)imidazolidin-2-one has a molecular weight of 245.33 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-imino-5-(4-propan-2-ylphenyl)imidazolidin-2-one is sourced from PubChem (CID 138389096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).