5-(4-chloro-2-fluorophenyl)-2-(2-methoxyethylimino)imidazolidin-4-one

C12H13ClFN3O2 — CID 137005087

IUPAC5-(4-chloro-2-fluorophenyl)-2-(2-methoxyethylimino)imidazolidin-4-one
SMILESCOCC/N=C1\NC(=O)C(c2ccc(Cl)cc2F)N1
InChIInChI=1S/C12H13ClFN3O2/c1-19-5-4-15-12-16-10(11(18)17-12)8-3-2-7(13)6-9(8)14/h2-3,6,10H,4-5H2,1H3,(H2,15,16,17,18)
InChIKeyGUDXICLYQQQFKR-UHFFFAOYSA-N
MW285.71 g/mol
LogP1.24
Rot. Bonds4

About 5-(4-chloro-2-fluorophenyl)-2-(2-methoxyethylimino)imidazolidin-4-one

5-(4-chloro-2-fluorophenyl)-2-(2-methoxyethylimino)imidazolidin-4-one (PubChem CID 137005087) has the molecular formula C12H13ClFN3O2 and a molecular weight of 285.71 g/mol. Its IUPAC name is 5-(4-chloro-2-fluorophenyl)-2-(2-methoxyethylimino)imidazolidin-4-one.

Molecular Properties

Compound Name5-(4-chloro-2-fluorophenyl)-2-(2-methoxyethylimino)imidazolidin-4-one
PubChem CID137005087
Molecular FormulaC12H13ClFN3O2
Molecular Weight285.71 g/mol
Exact Mass285.07
IUPAC Name5-(4-chloro-2-fluorophenyl)-2-(2-methoxyethylimino)imidazolidin-4-one
SMILESCOCC/N=C1\NC(=O)C(c2ccc(Cl)cc2F)N1
InChIInChI=1S/C12H13ClFN3O2/c1-19-5-4-15-12-16-10(11(18)17-12)8-3-2-7(13)6-9(8)14/h2-3,6,10H,4-5H2,1H3,(H2,15,16,17,18)
InChIKeyGUDXICLYQQQFKR-UHFFFAOYSA-N
XLogP1.24
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.71
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-chloro-2-methylphenyl)-2-(2-methoxyethylimino)imidazolidin-4-one
CID 136877697
5-(3-chloro-5-fluorophenyl)-2-(2-methoxyethylimino)imidazolidin-4-one
CID 137003541
5-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methoxyethylimino)imidazolidin-4-one
CID 136964624
2-ethylimino-5-(2-fluoro-5-methylphenyl)imidazolidin-4-one
CID 136731241
5-(2-chloro-3,5-difluorophenyl)-N-(2-methoxyethyl)-4H-1,2,4-benzothiadiazin-3-imine
CID 155266419
3-(4-chloro-2-fluorophenyl)piperazin-2-one
CID 114859928
2-(4-chloro-2-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 114866524
5-chloro-3-[3-(2-methoxyethoxy)propylamino]-1,3-dihydroindol-2-one
CID 43206912
4-(4-chloro-2-fluorophenyl)-3-propylpiperidine-2,6-dione
CID 114867243
3-[2-aminoethyl(methyl)amino]-6-chloro-1,3-dihydroindol-2-one
CID 82237705
2-methoxyethyl (4S)-4-(3-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7111647
2-(4-chloro-2-fluorophenyl)azetidine
CID 55271192

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-fluorophenyl)-2-(2-methoxyethylimino)imidazolidin-4-one?
The IUPAC name of 5-(4-chloro-2-fluorophenyl)-2-(2-methoxyethylimino)imidazolidin-4-one (CID 137005087) is 5-(4-chloro-2-fluorophenyl)-2-(2-methoxyethylimino)imidazolidin-4-one.
What is the SMILES notation for 5-(4-chloro-2-fluorophenyl)-2-(2-methoxyethylimino)imidazolidin-4-one?
The canonical SMILES for 5-(4-chloro-2-fluorophenyl)-2-(2-methoxyethylimino)imidazolidin-4-one is COCC/N=C1\NC(=O)C(c2ccc(Cl)cc2F)N1.
What is the InChIKey of 5-(4-chloro-2-fluorophenyl)-2-(2-methoxyethylimino)imidazolidin-4-one?
The InChIKey is GUDXICLYQQQFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3O2/c1-19-5-4-15-12-16-10(11(18)17-12)8-3-2-7(13)6-9(8)14/h2-3,6,10H,4-5H2,1H3,(H2,15,16,17,18).
What are the key properties of 5-(4-chloro-2-fluorophenyl)-2-(2-methoxyethylimino)imidazolidin-4-one?
5-(4-chloro-2-fluorophenyl)-2-(2-methoxyethylimino)imidazolidin-4-one has a molecular weight of 285.71 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-fluorophenyl)-2-(2-methoxyethylimino)imidazolidin-4-one is sourced from PubChem (CID 137005087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).