5-(2,4-difluorophenyl)-4-imino-1-(2-methylpropyl)imidazolidin-2-one

C13H15F2N3O — CID 138389162

IUPAC5-(2,4-difluorophenyl)-4-imino-1-(2-methylpropyl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC(C)C)C1c1ccc(F)cc1F
InChIInChI=1S/C13H15F2N3O/c1-7(2)6-18-11(12(16)17-13(18)19)9-4-3-8(14)5-10(9)15/h3-5,7,11H,6H2,1-2H3,(H2,16,17,19)
InChIKeyJZNKNDNNZSQJKB-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.66
Rot. Bonds3

About 5-(2,4-difluorophenyl)-4-imino-1-(2-methylpropyl)imidazolidin-2-one

5-(2,4-difluorophenyl)-4-imino-1-(2-methylpropyl)imidazolidin-2-one (PubChem CID 138389162) has the molecular formula C13H15F2N3O and a molecular weight of 267.28 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-4-imino-1-(2-methylpropyl)imidazolidin-2-one.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-4-imino-1-(2-methylpropyl)imidazolidin-2-one
PubChem CID138389162
Molecular FormulaC13H15F2N3O
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name5-(2,4-difluorophenyl)-4-imino-1-(2-methylpropyl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC(C)C)C1c1ccc(F)cc1F
InChIInChI=1S/C13H15F2N3O/c1-7(2)6-18-11(12(16)17-13(18)19)9-4-3-8(14)5-10(9)15/h3-5,7,11H,6H2,1-2H3,(H2,16,17,19)
InChIKeyJZNKNDNNZSQJKB-UHFFFAOYSA-N
XLogP2.66
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
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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Related Compounds

(4R,5S)-(-)-1,5-Dimethyl-4-phenyl-2-imidazolidinone
CID 6931391
1-(2-Fluorobenzyl)imidazolidin-2-one
CID 3244179
1-[(4-Fluorophenyl)methyl]imidazolidin-2-one
CID 4168948
1-Methyl-4-phenylimidazolidin-2-one
CID 44370699
2-Imidazolidinone, 1-(2-methylpropyl)-5-phenyl-
CID 57451
2-Imidazolidinone, 5-phenyl-1-propyl-
CID 57458
2-Imidazolinone, 1-(3-(dimethylamino)propyl)-5-phenyl-
CID 60534
[2-(3-fluorophenyl)pyrrolidinyl]-N-(methylethyl)carboxamide
CID 45924903
2-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 47238327
2-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 47326397
2-(3-fluorophenyl)-N-propylpyrrolidine-1-carboxamide
CID 50746902
2-(3-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide
CID 50746909

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-4-imino-1-(2-methylpropyl)imidazolidin-2-one?
The IUPAC name of 5-(2,4-difluorophenyl)-4-imino-1-(2-methylpropyl)imidazolidin-2-one (CID 138389162) is 5-(2,4-difluorophenyl)-4-imino-1-(2-methylpropyl)imidazolidin-2-one.
What is the SMILES notation for 5-(2,4-difluorophenyl)-4-imino-1-(2-methylpropyl)imidazolidin-2-one?
The canonical SMILES for 5-(2,4-difluorophenyl)-4-imino-1-(2-methylpropyl)imidazolidin-2-one is [H]/N=C1\NC(=O)N(CC(C)C)C1c1ccc(F)cc1F.
What is the InChIKey of 5-(2,4-difluorophenyl)-4-imino-1-(2-methylpropyl)imidazolidin-2-one?
The InChIKey is JZNKNDNNZSQJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O/c1-7(2)6-18-11(12(16)17-13(18)19)9-4-3-8(14)5-10(9)15/h3-5,7,11H,6H2,1-2H3,(H2,16,17,19).
What are the key properties of 5-(2,4-difluorophenyl)-4-imino-1-(2-methylpropyl)imidazolidin-2-one?
5-(2,4-difluorophenyl)-4-imino-1-(2-methylpropyl)imidazolidin-2-one has a molecular weight of 267.28 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-4-imino-1-(2-methylpropyl)imidazolidin-2-one is sourced from PubChem (CID 138389162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).