3-[4-(4-chlorophenoxy)phenyl]-1-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

C28H21ClF3N3O2 — CID 59485690

IUPAC3-[4-(4-chlorophenoxy)phenyl]-1-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESO=C1N(Cc2cccnc2)CC(c2cccc(C(F)(F)F)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C28H21ClF3N3O2/c29-22-6-10-24(11-7-22)37-25-12-8-23(9-13-25)35-26(20-4-1-5-21(15-20)28(30,31)32)18-34(27(35)36)17-19-3-2-14-33-16-19/h1-16,26H,17-18H2
InChIKeyDFXUIMWYQCHIOG-UHFFFAOYSA-N
MW523.94 g/mol
LogP7.73
Rot. Bonds6

About 3-[4-(4-chlorophenoxy)phenyl]-1-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

3-[4-(4-chlorophenoxy)phenyl]-1-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (PubChem CID 59485690) has the molecular formula C28H21ClF3N3O2 and a molecular weight of 523.94 g/mol. Its IUPAC name is 3-[4-(4-chlorophenoxy)phenyl]-1-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name3-[4-(4-chlorophenoxy)phenyl]-1-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
PubChem CID59485690
Molecular FormulaC28H21ClF3N3O2
Molecular Weight523.94 g/mol
Exact Mass523.13
IUPAC Name3-[4-(4-chlorophenoxy)phenyl]-1-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESO=C1N(Cc2cccnc2)CC(c2cccc(C(F)(F)F)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C28H21ClF3N3O2/c29-22-6-10-24(11-7-22)37-25-12-8-23(9-13-25)35-26(20-4-1-5-21(15-20)28(30,31)32)18-34(27(35)36)17-19-3-2-14-33-16-19/h1-16,26H,17-18H2
InChIKeyDFXUIMWYQCHIOG-UHFFFAOYSA-N
XLogP7.73
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.94
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenoxy)phenyl]-1-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The IUPAC name of 3-[4-(4-chlorophenoxy)phenyl]-1-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (CID 59485690) is 3-[4-(4-chlorophenoxy)phenyl]-1-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 3-[4-(4-chlorophenoxy)phenyl]-1-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The canonical SMILES for 3-[4-(4-chlorophenoxy)phenyl]-1-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is O=C1N(Cc2cccnc2)CC(c2cccc(C(F)(F)F)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-[4-(4-chlorophenoxy)phenyl]-1-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The InChIKey is DFXUIMWYQCHIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClF3N3O2/c29-22-6-10-24(11-7-22)37-25-12-8-23(9-13-25)35-26(20-4-1-5-21(15-20)28(30,31)32)18-34(27(35)36)17-19-3-2-14-33-16-19/h1-16,26H,17-18H2.
What are the key properties of 3-[4-(4-chlorophenoxy)phenyl]-1-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
3-[4-(4-chlorophenoxy)phenyl]-1-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one has a molecular weight of 523.94 g/mol, XLogP of 7.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenoxy)phenyl]-1-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 59485690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).