5-(3-chloro-5-fluorophenyl)-2-(2-methoxyethylimino)imidazolidin-4-one

C12H13ClFN3O2 — CID 137003541

IUPAC5-(3-chloro-5-fluorophenyl)-2-(2-methoxyethylimino)imidazolidin-4-one
SMILESCOCC/N=C1\NC(=O)C(c2cc(F)cc(Cl)c2)N1
InChIInChI=1S/C12H13ClFN3O2/c1-19-3-2-15-12-16-10(11(18)17-12)7-4-8(13)6-9(14)5-7/h4-6,10H,2-3H2,1H3,(H2,15,16,17,18)
InChIKeyNFVJCMORRPPQDB-UHFFFAOYSA-N
MW285.71 g/mol
LogP1.24
Rot. Bonds4

About 5-(3-chloro-5-fluorophenyl)-2-(2-methoxyethylimino)imidazolidin-4-one

5-(3-chloro-5-fluorophenyl)-2-(2-methoxyethylimino)imidazolidin-4-one (PubChem CID 137003541) has the molecular formula C12H13ClFN3O2 and a molecular weight of 285.71 g/mol. Its IUPAC name is 5-(3-chloro-5-fluorophenyl)-2-(2-methoxyethylimino)imidazolidin-4-one.

Molecular Properties

Compound Name5-(3-chloro-5-fluorophenyl)-2-(2-methoxyethylimino)imidazolidin-4-one
PubChem CID137003541
Molecular FormulaC12H13ClFN3O2
Molecular Weight285.71 g/mol
Exact Mass285.07
IUPAC Name5-(3-chloro-5-fluorophenyl)-2-(2-methoxyethylimino)imidazolidin-4-one
SMILESCOCC/N=C1\NC(=O)C(c2cc(F)cc(Cl)c2)N1
InChIInChI=1S/C12H13ClFN3O2/c1-19-3-2-15-12-16-10(11(18)17-12)7-4-8(13)6-9(14)5-7/h4-6,10H,2-3H2,1H3,(H2,15,16,17,18)
InChIKeyNFVJCMORRPPQDB-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-fluorophenyl)-2-(2-methoxyethylimino)imidazolidin-4-one
CID 137005087
5-(4-chloro-2-methylphenyl)-2-(2-methoxyethylimino)imidazolidin-4-one
CID 136877697
5-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methoxyethylimino)imidazolidin-4-one
CID 136964624
5-(3,5-difluorophenyl)-2-methyliminoimidazolidin-4-one
CID 136710884
4-(3-chloro-5-fluorophenyl)-3-(2-methylpropyl)piperidine-2,6-dione
CID 114455061
4-(3-chloro-5-fluorophenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 114455063
2-ethylimino-5-(2-fluoro-5-methylphenyl)imidazolidin-4-one
CID 136731241
4-(3-chloro-5-fluorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one
CID 114455007
ethyl 3-(3-chloro-5-fluorophenyl)-5-oxopyrrolidine-2-carboxylate
CID 105360365
5-(2-chloro-3,5-difluorophenyl)-N-(2-methoxyethyl)-4H-1,2,4-benzothiadiazin-3-imine
CID 155266419
N-(3,5-dichlorophenyl)-2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135797682
(3aR,7aS)-5-(3-chloro-5-fluorobenzoyl)-1-(2-methoxyethyl)-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one
CID 120963816

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-5-fluorophenyl)-2-(2-methoxyethylimino)imidazolidin-4-one?
The IUPAC name of 5-(3-chloro-5-fluorophenyl)-2-(2-methoxyethylimino)imidazolidin-4-one (CID 137003541) is 5-(3-chloro-5-fluorophenyl)-2-(2-methoxyethylimino)imidazolidin-4-one.
What is the SMILES notation for 5-(3-chloro-5-fluorophenyl)-2-(2-methoxyethylimino)imidazolidin-4-one?
The canonical SMILES for 5-(3-chloro-5-fluorophenyl)-2-(2-methoxyethylimino)imidazolidin-4-one is COCC/N=C1\NC(=O)C(c2cc(F)cc(Cl)c2)N1.
What is the InChIKey of 5-(3-chloro-5-fluorophenyl)-2-(2-methoxyethylimino)imidazolidin-4-one?
The InChIKey is NFVJCMORRPPQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3O2/c1-19-3-2-15-12-16-10(11(18)17-12)7-4-8(13)6-9(14)5-7/h4-6,10H,2-3H2,1H3,(H2,15,16,17,18).
What are the key properties of 5-(3-chloro-5-fluorophenyl)-2-(2-methoxyethylimino)imidazolidin-4-one?
5-(3-chloro-5-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-(3-chloro-5-fluorophenyl)-2-(2-methoxyethylimino)imidazolidin-4-one is sourced from PubChem (CID 137003541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).