5-[2-(difluoromethoxy)phenyl]-4-imino-1-(2-methylpropyl)imidazolidin-2-one

C14H17F2N3O2 — CID 138389017

IUPAC5-[2-(difluoromethoxy)phenyl]-4-imino-1-(2-methylpropyl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC(C)C)C1c1ccccc1OC(F)F
InChIInChI=1S/C14H17F2N3O2/c1-8(2)7-19-11(12(17)18-14(19)20)9-5-3-4-6-10(9)21-13(15)16/h3-6,8,11,13H,7H2,1-2H3,(H2,17,18,20)
InChIKeyLZUOMKGOUQQQQE-UHFFFAOYSA-N
MW297.30 g/mol
LogP2.99
Rot. Bonds5

About 5-[2-(difluoromethoxy)phenyl]-4-imino-1-(2-methylpropyl)imidazolidin-2-one

5-[2-(difluoromethoxy)phenyl]-4-imino-1-(2-methylpropyl)imidazolidin-2-one (PubChem CID 138389017) has the molecular formula C14H17F2N3O2 and a molecular weight of 297.30 g/mol. Its IUPAC name is 5-[2-(difluoromethoxy)phenyl]-4-imino-1-(2-methylpropyl)imidazolidin-2-one.

Molecular Properties

Compound Name5-[2-(difluoromethoxy)phenyl]-4-imino-1-(2-methylpropyl)imidazolidin-2-one
PubChem CID138389017
Molecular FormulaC14H17F2N3O2
Molecular Weight297.30 g/mol
Exact Mass297.13
IUPAC Name5-[2-(difluoromethoxy)phenyl]-4-imino-1-(2-methylpropyl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC(C)C)C1c1ccccc1OC(F)F
InChIInChI=1S/C14H17F2N3O2/c1-8(2)7-19-11(12(17)18-14(19)20)9-5-3-4-6-10(9)21-13(15)16/h3-6,8,11,13H,7H2,1-2H3,(H2,17,18,20)
InChIKeyLZUOMKGOUQQQQE-UHFFFAOYSA-N
XLogP2.99
TPSA65.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-(2,4-difluorophenyl)-4-imino-1-(2-methylpropyl)imidazolidin-2-one
CID 138389162
5-(2-chloro-6-fluorophenyl)-4-imino-1-(2-methylpropyl)imidazolidin-2-one
CID 138388787
4-imino-1-(2-methylpropyl)-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 138389199
5-[4-(difluoromethoxy)phenyl]-1-ethyl-4-iminoimidazolidin-2-one
CID 138390678
5-(2-ethylphenyl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one
CID 138390315
2-[2-(difluoromethoxy)phenyl]-3-ethylimidazolidin-4-one
CID 115282046
5-amino-3-but-3-yn-2-yl-4-[2-(difluoromethoxy)phenyl]-4H-imidazol-2-one
CID 114420658
4-imino-1-(2-methylpropyl)-5-pentylimidazolidin-2-one
CID 138388779
2-methylpropyl (4S)-4-[2-(difluoromethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7819283
5-amino-4-[2-(difluoromethoxy)phenyl]-3-prop-2-ynyl-4H-imidazol-2-one
CID 79968099
bis(2-methylpropanoyloxymethyl) 4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 101173503
4-imino-1-(2-methoxyethyl)-5-(4-propan-2-yloxyphenyl)imidazolidin-2-one
CID 138390991

Frequently Asked Questions

What is the IUPAC name of 5-[2-(difluoromethoxy)phenyl]-4-imino-1-(2-methylpropyl)imidazolidin-2-one?
The IUPAC name of 5-[2-(difluoromethoxy)phenyl]-4-imino-1-(2-methylpropyl)imidazolidin-2-one (CID 138389017) is 5-[2-(difluoromethoxy)phenyl]-4-imino-1-(2-methylpropyl)imidazolidin-2-one.
What is the SMILES notation for 5-[2-(difluoromethoxy)phenyl]-4-imino-1-(2-methylpropyl)imidazolidin-2-one?
The canonical SMILES for 5-[2-(difluoromethoxy)phenyl]-4-imino-1-(2-methylpropyl)imidazolidin-2-one is [H]/N=C1\NC(=O)N(CC(C)C)C1c1ccccc1OC(F)F.
What is the InChIKey of 5-[2-(difluoromethoxy)phenyl]-4-imino-1-(2-methylpropyl)imidazolidin-2-one?
The InChIKey is LZUOMKGOUQQQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O2/c1-8(2)7-19-11(12(17)18-14(19)20)9-5-3-4-6-10(9)21-13(15)16/h3-6,8,11,13H,7H2,1-2H3,(H2,17,18,20).
What are the key properties of 5-[2-(difluoromethoxy)phenyl]-4-imino-1-(2-methylpropyl)imidazolidin-2-one?
5-[2-(difluoromethoxy)phenyl]-4-imino-1-(2-methylpropyl)imidazolidin-2-one has a molecular weight of 297.30 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(difluoromethoxy)phenyl]-4-imino-1-(2-methylpropyl)imidazolidin-2-one is sourced from PubChem (CID 138389017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).