5-(2,3-difluorophenyl)-4-imino-1-methylimidazolidin-2-one

C10H9F2N3O — CID 138388629

IUPAC5-(2,3-difluorophenyl)-4-imino-1-methylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(C)C1c1cccc(F)c1F
InChIInChI=1S/C10H9F2N3O/c1-15-8(9(13)14-10(15)16)5-3-2-4-6(11)7(5)12/h2-4,8H,1H3,(H2,13,14,16)
InChIKeyNYULNRNZVDVXED-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.64
Rot. Bonds1

About 5-(2,3-difluorophenyl)-4-imino-1-methylimidazolidin-2-one

5-(2,3-difluorophenyl)-4-imino-1-methylimidazolidin-2-one (PubChem CID 138388629) has the molecular formula C10H9F2N3O and a molecular weight of 225.20 g/mol. Its IUPAC name is 5-(2,3-difluorophenyl)-4-imino-1-methylimidazolidin-2-one.

Molecular Properties

Compound Name5-(2,3-difluorophenyl)-4-imino-1-methylimidazolidin-2-one
PubChem CID138388629
Molecular FormulaC10H9F2N3O
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name5-(2,3-difluorophenyl)-4-imino-1-methylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(C)C1c1cccc(F)c1F
InChIInChI=1S/C10H9F2N3O/c1-15-8(9(13)14-10(15)16)5-3-2-4-6(11)7(5)12/h2-4,8H,1H3,(H2,13,14,16)
InChIKeyNYULNRNZVDVXED-UHFFFAOYSA-N
XLogP1.64
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.64
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-(2,3-difluorophenyl)-4-imino-1-methylimidazolidin-2-one?
The IUPAC name of 5-(2,3-difluorophenyl)-4-imino-1-methylimidazolidin-2-one (CID 138388629) is 5-(2,3-difluorophenyl)-4-imino-1-methylimidazolidin-2-one.
What is the SMILES notation for 5-(2,3-difluorophenyl)-4-imino-1-methylimidazolidin-2-one?
The canonical SMILES for 5-(2,3-difluorophenyl)-4-imino-1-methylimidazolidin-2-one is [H]/N=C1\NC(=O)N(C)C1c1cccc(F)c1F.
What is the InChIKey of 5-(2,3-difluorophenyl)-4-imino-1-methylimidazolidin-2-one?
The InChIKey is NYULNRNZVDVXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O/c1-15-8(9(13)14-10(15)16)5-3-2-4-6(11)7(5)12/h2-4,8H,1H3,(H2,13,14,16).
What are the key properties of 5-(2,3-difluorophenyl)-4-imino-1-methylimidazolidin-2-one?
5-(2,3-difluorophenyl)-4-imino-1-methylimidazolidin-2-one has a molecular weight of 225.20 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-difluorophenyl)-4-imino-1-methylimidazolidin-2-one is sourced from PubChem (CID 138388629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).