3-[4-(4-chlorophenoxy)phenyl]-1-[2-(methylamino)ethyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

C25H23ClF3N3O2 — CID 59486027

IUPAC3-[4-(4-chlorophenoxy)phenyl]-1-[2-(methylamino)ethyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESCNCCN1CC(c2cccc(C(F)(F)F)c2)N(c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O
InChIInChI=1S/C25H23ClF3N3O2/c1-30-13-14-31-16-23(17-3-2-4-18(15-17)25(27,28)29)32(24(31)33)20-7-11-22(12-8-20)34-21-9-5-19(26)6-10-21/h2-12,15,23,30H,13-14,16H2,1H3
InChIKeyQKGQANKMBFOJNB-UHFFFAOYSA-N
MW489.93 g/mol
LogP6.35
Rot. Bonds7

About 3-[4-(4-chlorophenoxy)phenyl]-1-[2-(methylamino)ethyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

3-[4-(4-chlorophenoxy)phenyl]-1-[2-(methylamino)ethyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (PubChem CID 59486027) has the molecular formula C25H23ClF3N3O2 and a molecular weight of 489.93 g/mol. Its IUPAC name is 3-[4-(4-chlorophenoxy)phenyl]-1-[2-(methylamino)ethyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name3-[4-(4-chlorophenoxy)phenyl]-1-[2-(methylamino)ethyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
PubChem CID59486027
Molecular FormulaC25H23ClF3N3O2
Molecular Weight489.93 g/mol
Exact Mass489.14
IUPAC Name3-[4-(4-chlorophenoxy)phenyl]-1-[2-(methylamino)ethyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESCNCCN1CC(c2cccc(C(F)(F)F)c2)N(c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O
InChIInChI=1S/C25H23ClF3N3O2/c1-30-13-14-31-16-23(17-3-2-4-18(15-17)25(27,28)29)32(24(31)33)20-7-11-22(12-8-20)34-21-9-5-19(26)6-10-21/h2-12,15,23,30H,13-14,16H2,1H3
InChIKeyQKGQANKMBFOJNB-UHFFFAOYSA-N
XLogP6.35
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.93
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenoxy)phenyl]-1-[2-(methylamino)ethyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The IUPAC name of 3-[4-(4-chlorophenoxy)phenyl]-1-[2-(methylamino)ethyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (CID 59486027) is 3-[4-(4-chlorophenoxy)phenyl]-1-[2-(methylamino)ethyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 3-[4-(4-chlorophenoxy)phenyl]-1-[2-(methylamino)ethyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The canonical SMILES for 3-[4-(4-chlorophenoxy)phenyl]-1-[2-(methylamino)ethyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is CNCCN1CC(c2cccc(C(F)(F)F)c2)N(c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O.
What is the InChIKey of 3-[4-(4-chlorophenoxy)phenyl]-1-[2-(methylamino)ethyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The InChIKey is QKGQANKMBFOJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClF3N3O2/c1-30-13-14-31-16-23(17-3-2-4-18(15-17)25(27,28)29)32(24(31)33)20-7-11-22(12-8-20)34-21-9-5-19(26)6-10-21/h2-12,15,23,30H,13-14,16H2,1H3.
What are the key properties of 3-[4-(4-chlorophenoxy)phenyl]-1-[2-(methylamino)ethyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
3-[4-(4-chlorophenoxy)phenyl]-1-[2-(methylamino)ethyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one has a molecular weight of 489.93 g/mol, XLogP of 6.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenoxy)phenyl]-1-[2-(methylamino)ethyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 59486027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).