(4S)-4-(3,6-dichloro-2-fluorophenyl)imidazolidin-2-one

C₉H₇Cl₂FN₂O — CID 171252831

About (4S)-4-(3,6-dichloro-2-fluorophenyl)imidazolidin-2-one

(4S)-4-(3,6-dichloro-2-fluorophenyl)imidazolidin-2-one (PubChem CID 171252831) has the molecular formula C₉H₇Cl₂FN₂O and a molecular weight of 249.07 g/mol. Its IUPAC name is (4S)-4-(3,6-dichloro-2-fluorophenyl)imidazolidin-2-one.

Molecular Properties

• Compound Name: (4S)-4-(3,6-dichloro-2-fluorophenyl)imidazolidin-2-one
• PubChem CID: 171252831
• Molecular Formula: C₉H₇Cl₂FN₂O
• Molecular Weight: 249.07 g/mol
• Exact Mass: 247.99
• IUPAC Name: (4S)-4-(3,6-dichloro-2-fluorophenyl)imidazolidin-2-one
• SMILES: O=C1NC[C@H](c2c(Cl)ccc(Cl)c2F)N1
• InChI: InChI=1S/C9H7Cl2FN2O/c10-4-1-2-5(11)8(12)7(4)6-3-13-9(15)14-6/h1-2,6H,3H2,(H2,13,14,15)/t6-/m1/s1
• InChIKey: OUTKYUVPFFWKGR-ZCFIWIBFSA-N
• XLogP: 2.49
• TPSA: 41.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	249.07
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3,6-dichloro-2-fluorophenyl)imidazolidin-2-one?

The IUPAC name of (4S)-4-(3,6-dichloro-2-fluorophenyl)imidazolidin-2-one (CID 171252831) is (4S)-4-(3,6-dichloro-2-fluorophenyl)imidazolidin-2-one.

What is the SMILES notation for (4S)-4-(3,6-dichloro-2-fluorophenyl)imidazolidin-2-one?

The canonical SMILES for (4S)-4-(3,6-dichloro-2-fluorophenyl)imidazolidin-2-one is O=C1NC[C@H](c2c(Cl)ccc(Cl)c2F)N1.

What is the InChIKey of (4S)-4-(3,6-dichloro-2-fluorophenyl)imidazolidin-2-one?

The InChIKey is OUTKYUVPFFWKGR-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H7Cl2FN2O/c10-4-1-2-5(11)8(12)7(4)6-3-13-9(15)14-6/h1-2,6H,3H2,(H2,13,14,15)/t6-/m1/s1.

What are the key properties of (4S)-4-(3,6-dichloro-2-fluorophenyl)imidazolidin-2-one?

(4S)-4-(3,6-dichloro-2-fluorophenyl)imidazolidin-2-one has a molecular weight of 249.07 g/mol, XLogP of 2.49, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-(3,6-dichloro-2-fluorophenyl)imidazolidin-2-one is sourced from PubChem (CID 171252831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 171252831 — identifiers, structure, computed properties (public domain)

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