5-(3,5-difluorophenyl)-2-methyliminoimidazolidin-4-one

C10H9F2N3O — CID 136710884

IUPAC5-(3,5-difluorophenyl)-2-methyliminoimidazolidin-4-one
SMILESC/N=C1\NC(=O)C(c2cc(F)cc(F)c2)N1
InChIInChI=1S/C10H9F2N3O/c1-13-10-14-8(9(16)15-10)5-2-6(11)4-7(12)3-5/h2-4,8H,1H3,(H2,13,14,15,16)
InChIKeyGVBGLSHBJBFAJL-UHFFFAOYSA-N
MW225.20 g/mol
LogP0.71
Rot. Bonds1

About 5-(3,5-difluorophenyl)-2-methyliminoimidazolidin-4-one

5-(3,5-difluorophenyl)-2-methyliminoimidazolidin-4-one (PubChem CID 136710884) has the molecular formula C10H9F2N3O and a molecular weight of 225.20 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-2-methyliminoimidazolidin-4-one.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)-2-methyliminoimidazolidin-4-one
PubChem CID136710884
Molecular FormulaC10H9F2N3O
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name5-(3,5-difluorophenyl)-2-methyliminoimidazolidin-4-one
SMILESC/N=C1\NC(=O)C(c2cc(F)cc(F)c2)N1
InChIInChI=1S/C10H9F2N3O/c1-13-10-14-8(9(16)15-10)5-2-6(11)4-7(12)3-5/h2-4,8H,1H3,(H2,13,14,15,16)
InChIKeyGVBGLSHBJBFAJL-UHFFFAOYSA-N
XLogP0.71
TPSA53.49 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 ≤ 50.71
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

5-(5-bromo-3-pyridinyl)-2-methyliminoimidazolidin-4-one
CID 137000582
5-(3-chloro-5-fluorophenyl)-2-(2-methoxyethylimino)imidazolidin-4-one
CID 137003541
2-methylimino-5-(1,3-thiazol-5-yl)imidazolidin-4-one
CID 136706809
4-(3,5-difluorophenyl)-5-methylpyrrolidin-2-one
CID 106534465
(5R)-5-(3,5-difluorophenyl)pyrrolidin-2-one
CID 130659589
4-(3,5-difluorophenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 106534521
2-ethylimino-5-(2-fluoro-5-methylphenyl)imidazolidin-4-one
CID 136731241
4-(3,5-difluorophenyl)-1,3-oxazolidin-2-one;ethane;methanol
CID 143702720
6-fluoro-3-phenyl-3,4-dihydro-1H-quinoxalin-2-one
CID 76519045
1,3-difluoro-5-(4-methylcyclohexyl)benzene
CID 18720773
(4R)-4-(3,5-difluorophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184997
N-cycloheptyl-3,5-difluoro-N-methylbenzenesulfonamide
CID 55476609

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)-2-methyliminoimidazolidin-4-one?
The IUPAC name of 5-(3,5-difluorophenyl)-2-methyliminoimidazolidin-4-one (CID 136710884) is 5-(3,5-difluorophenyl)-2-methyliminoimidazolidin-4-one.
What is the SMILES notation for 5-(3,5-difluorophenyl)-2-methyliminoimidazolidin-4-one?
The canonical SMILES for 5-(3,5-difluorophenyl)-2-methyliminoimidazolidin-4-one is C/N=C1\NC(=O)C(c2cc(F)cc(F)c2)N1.
What is the InChIKey of 5-(3,5-difluorophenyl)-2-methyliminoimidazolidin-4-one?
The InChIKey is GVBGLSHBJBFAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O/c1-13-10-14-8(9(16)15-10)5-2-6(11)4-7(12)3-5/h2-4,8H,1H3,(H2,13,14,15,16).
What are the key properties of 5-(3,5-difluorophenyl)-2-methyliminoimidazolidin-4-one?
5-(3,5-difluorophenyl)-2-methyliminoimidazolidin-4-one has a molecular weight of 225.20 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenyl)-2-methyliminoimidazolidin-4-one is sourced from PubChem (CID 136710884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).