5-(4-tert-butylphenyl)-4-imino-1-propan-2-ylimidazolidin-2-one

C16H23N3O — CID 138389941

IUPAC5-(4-tert-butylphenyl)-4-imino-1-propan-2-ylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(C(C)C)C1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H23N3O/c1-10(2)19-13(14(17)18-15(19)20)11-6-8-12(9-7-11)16(3,4)5/h6-10,13H,1-5H3,(H2,17,18,20)
InChIKeyQMXPVXKOMIEFMX-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.44
Rot. Bonds2

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

5-(4-tert-butylphenyl)-4-imino-1-propan-2-ylimidazolidin-2-one (PubChem CID 138389941) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-4-imino-1-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-4-imino-1-propan-2-ylimidazolidin-2-one
PubChem CID138389941
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name5-(4-tert-butylphenyl)-4-imino-1-propan-2-ylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(C(C)C)C1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H23N3O/c1-10(2)19-13(14(17)18-15(19)20)11-6-8-12(9-7-11)16(3,4)5/h6-10,13H,1-5H3,(H2,17,18,20)
InChIKeyQMXPVXKOMIEFMX-UHFFFAOYSA-N
XLogP3.44
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.44
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-propan-2-ylimidazolidin-2-one?
The IUPAC name of 5-(4-tert-butylphenyl)-4-imino-1-propan-2-ylimidazolidin-2-one (CID 138389941) is 5-(4-tert-butylphenyl)-4-imino-1-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 5-(4-tert-butylphenyl)-4-imino-1-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 5-(4-tert-butylphenyl)-4-imino-1-propan-2-ylimidazolidin-2-one is [H]/N=C1\NC(=O)N(C(C)C)C1c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-4-imino-1-propan-2-ylimidazolidin-2-one?
The InChIKey is QMXPVXKOMIEFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-10(2)19-13(14(17)18-15(19)20)11-6-8-12(9-7-11)16(3,4)5/h6-10,13H,1-5H3,(H2,17,18,20).
What are the key properties of 5-(4-tert-butylphenyl)-4-imino-1-propan-2-ylimidazolidin-2-one?
5-(4-tert-butylphenyl)-4-imino-1-propan-2-ylimidazolidin-2-one has a molecular weight of 273.38 g/mol, XLogP of 3.44, 2 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-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 138389941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).