1-[2-[3-chloro-2-(chloromethyl)-5-fluorophenyl]ethyl]imidazolidin-2-one

C12H13Cl2FN2O — CID 155319456

IUPAC1-[2-[3-chloro-2-(chloromethyl)-5-fluorophenyl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCc1cc(F)cc(Cl)c1CCl
InChIInChI=1S/C12H13Cl2FN2O/c13-7-10-8(5-9(15)6-11(10)14)1-3-17-4-2-16-12(17)18/h5-6H,1-4,7H2,(H,16,18)
InChIKeyHQRQQVBZQOFOTJ-UHFFFAOYSA-N
MW291.15 g/mol
LogP2.79
Rot. Bonds4

About 1-[2-[3-chloro-2-(chloromethyl)-5-fluorophenyl]ethyl]imidazolidin-2-one

1-[2-[3-chloro-2-(chloromethyl)-5-fluorophenyl]ethyl]imidazolidin-2-one (PubChem CID 155319456) has the molecular formula C12H13Cl2FN2O and a molecular weight of 291.15 g/mol. Its IUPAC name is 1-[2-[3-chloro-2-(chloromethyl)-5-fluorophenyl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[3-chloro-2-(chloromethyl)-5-fluorophenyl]ethyl]imidazolidin-2-one
PubChem CID155319456
Molecular FormulaC12H13Cl2FN2O
Molecular Weight291.15 g/mol
Exact Mass290.04
IUPAC Name1-[2-[3-chloro-2-(chloromethyl)-5-fluorophenyl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCc1cc(F)cc(Cl)c1CCl
InChIInChI=1S/C12H13Cl2FN2O/c13-7-10-8(5-9(15)6-11(10)14)1-3-17-4-2-16-12(17)18/h5-6H,1-4,7H2,(H,16,18)
InChIKeyHQRQQVBZQOFOTJ-UHFFFAOYSA-N
XLogP2.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-chloro-2-(chloromethyl)-5-fluorophenyl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[3-chloro-2-(chloromethyl)-5-fluorophenyl]ethyl]imidazolidin-2-one (CID 155319456) is 1-[2-[3-chloro-2-(chloromethyl)-5-fluorophenyl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[3-chloro-2-(chloromethyl)-5-fluorophenyl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[3-chloro-2-(chloromethyl)-5-fluorophenyl]ethyl]imidazolidin-2-one is O=C1NCCN1CCc1cc(F)cc(Cl)c1CCl.
What is the InChIKey of 1-[2-[3-chloro-2-(chloromethyl)-5-fluorophenyl]ethyl]imidazolidin-2-one?
The InChIKey is HQRQQVBZQOFOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2FN2O/c13-7-10-8(5-9(15)6-11(10)14)1-3-17-4-2-16-12(17)18/h5-6H,1-4,7H2,(H,16,18).
What are the key properties of 1-[2-[3-chloro-2-(chloromethyl)-5-fluorophenyl]ethyl]imidazolidin-2-one?
1-[2-[3-chloro-2-(chloromethyl)-5-fluorophenyl]ethyl]imidazolidin-2-one has a molecular weight of 291.15 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-chloro-2-(chloromethyl)-5-fluorophenyl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 155319456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).