5-(4-tert-butylphenyl)-4-imino-1-methylimidazolidin-2-one

C14H19N3O — CID 138388421

IUPAC5-(4-tert-butylphenyl)-4-imino-1-methylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(C)C1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H19N3O/c1-14(2,3)10-7-5-9(6-8-10)11-12(15)16-13(18)17(11)4/h5-8,11H,1-4H3,(H2,15,16,18)
InChIKeyQUTKHRZIZYIAOB-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.66
Rot. Bonds1

About 5-(4-tert-butylphenyl)-4-imino-1-methylimidazolidin-2-one

5-(4-tert-butylphenyl)-4-imino-1-methylimidazolidin-2-one (PubChem CID 138388421) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-4-imino-1-methylimidazolidin-2-one.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-4-imino-1-methylimidazolidin-2-one
PubChem CID138388421
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name5-(4-tert-butylphenyl)-4-imino-1-methylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(C)C1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H19N3O/c1-14(2,3)10-7-5-9(6-8-10)11-12(15)16-13(18)17(11)4/h5-8,11H,1-4H3,(H2,15,16,18)
InChIKeyQUTKHRZIZYIAOB-UHFFFAOYSA-N
XLogP2.66
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.66
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 5-(4-tert-butylphenyl)-4-imino-1-methylimidazolidin-2-one?
The IUPAC name of 5-(4-tert-butylphenyl)-4-imino-1-methylimidazolidin-2-one (CID 138388421) is 5-(4-tert-butylphenyl)-4-imino-1-methylimidazolidin-2-one.
What is the SMILES notation for 5-(4-tert-butylphenyl)-4-imino-1-methylimidazolidin-2-one?
The canonical SMILES for 5-(4-tert-butylphenyl)-4-imino-1-methylimidazolidin-2-one is [H]/N=C1\NC(=O)N(C)C1c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-4-imino-1-methylimidazolidin-2-one?
The InChIKey is QUTKHRZIZYIAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-14(2,3)10-7-5-9(6-8-10)11-12(15)16-13(18)17(11)4/h5-8,11H,1-4H3,(H2,15,16,18).
What are the key properties of 5-(4-tert-butylphenyl)-4-imino-1-methylimidazolidin-2-one?
5-(4-tert-butylphenyl)-4-imino-1-methylimidazolidin-2-one has a molecular weight of 245.33 g/mol, XLogP of 2.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-4-imino-1-methylimidazolidin-2-one is sourced from PubChem (CID 138388421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).