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

C9H7Cl2FN2O — CID 171252831

IUPAC(4S)-4-(3,6-dichloro-2-fluorophenyl)imidazolidin-2-one
SMILESO=C1NC[C@H](c2c(Cl)ccc(Cl)c2F)N1
InChIInChI=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
InChIKeyOUTKYUVPFFWKGR-ZCFIWIBFSA-N
MW249.07 g/mol
LogP2.49
Rot. Bonds1

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 CID171252831
Molecular FormulaC9H7Cl2FN2O
Molecular Weight249.07 g/mol
Exact Mass247.99
IUPAC Name(4S)-4-(3,6-dichloro-2-fluorophenyl)imidazolidin-2-one
SMILESO=C1NC[C@H](c2c(Cl)ccc(Cl)c2F)N1
InChIInChI=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
InChIKeyOUTKYUVPFFWKGR-ZCFIWIBFSA-N
XLogP2.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.07
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-Chlorobenzyl)imidazolidin-2-one
CID 3235606
US10343992, Example 137
CID 134363680
5-(2-Chlorophenyl)-1-methyl-4,5-dihydro-1H-imidazol-2-ol
CID 57452
5-(4-Chlorophenyl)-1-methyl-4,5-dihydro-1H-imidazol-2-ol
CID 60459
1-[(2-Chloro-6-fluorophenyl)methyl]-3-propan-2-ylurea
CID 2804469
1-(2-(2-Chlorophenyl)-2-(dimethylamino)ethyl)-3-(4-fluorobenzyl)urea
CID 45504539
2-(2-chlorophenyl)-N-(4-fluorobenzyl)-1-pyrrolidinecarboxamide
CID 45924496
1-[1-(2-Chloro-6-fluorophenyl)ethyl]-3-methylurea
CID 71924948
1-[(3-Chlorophenyl)methyl]-3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]urea
CID 133875323
1-[2-(3-Chlorophenyl)ethyl]-3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]urea
CID 133875345
2-(2-chlorophenyl)-N-propylpyrrolidine-1-carboxamide
CID 45924977
2-(2-Chlorophenyl)-N-(propan-2-YL)pyrrolidine-1-carboxamide
CID 47306917

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).