3-[[3-[4-(4-chlorophenoxy)phenyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]pyridine

C28H23ClF3N3O — CID 141210072

IUPAC3-[[3-[4-(4-chlorophenoxy)phenyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]pyridine
SMILESFC(F)(F)c1cccc(C2CN(Cc3cccnc3)CN2c2ccc(Oc3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C28H23ClF3N3O/c29-23-6-10-25(11-7-23)36-26-12-8-24(9-13-26)35-19-34(17-20-3-2-14-33-16-20)18-27(35)21-4-1-5-22(15-21)28(30,31)32/h1-16,27H,17-19H2
InChIKeyVGFFASUROQJBLC-UHFFFAOYSA-N
MW509.96 g/mol
LogP7.57
Rot. Bonds6

About 3-[[3-[4-(4-chlorophenoxy)phenyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]pyridine

3-[[3-[4-(4-chlorophenoxy)phenyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]pyridine (PubChem CID 141210072) has the molecular formula C28H23ClF3N3O and a molecular weight of 509.96 g/mol. Its IUPAC name is 3-[[3-[4-(4-chlorophenoxy)phenyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[3-[4-(4-chlorophenoxy)phenyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]pyridine
PubChem CID141210072
Molecular FormulaC28H23ClF3N3O
Molecular Weight509.96 g/mol
Exact Mass509.15
IUPAC Name3-[[3-[4-(4-chlorophenoxy)phenyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]pyridine
SMILESFC(F)(F)c1cccc(C2CN(Cc3cccnc3)CN2c2ccc(Oc3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C28H23ClF3N3O/c29-23-6-10-25(11-7-23)36-26-12-8-24(9-13-26)35-19-34(17-20-3-2-14-33-16-20)18-27(35)21-4-1-5-22(15-21)28(30,31)32/h1-16,27H,17-19H2
InChIKeyVGFFASUROQJBLC-UHFFFAOYSA-N
XLogP7.57
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.96
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[3-[4-(4-chlorophenoxy)phenyl]-2-methylidene-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]ethyl]piperidine
CID 89265398
3-[4-(4-chlorophenoxy)phenyl]-1-(3-nitrosopropyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 143702820
3-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 68705698
(3S,5R)-1-[4-(4-chlorophenoxy)phenyl]-3-prop-2-enyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 59485752
acetonitrile;1-[4-(4-chlorophenoxy)phenyl]-2-methylidene-5-[3-(trifluoromethyl)phenyl]imidazolidine
CID 143702816
3-[(4S)-3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]propanamide
CID 59485935
1-[4-(4-chlorophenoxy)phenyl]-2-(sulfinamoylamino)-5-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazole
CID 143702874
3-[[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridine
CID 56869553
tert-butyl 2-[[2-[3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetyl]amino]acetate
CID 86645369
1-[(4-chlorophenyl)methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 22195771
(3aS,6aR)-2-[[3-(4-chlorophenoxy)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 139599409
(3S,5S)-1-(pyrimidin-5-ylmethyl)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 129398116

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[4-(4-chlorophenoxy)phenyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]pyridine?
The IUPAC name of 3-[[3-[4-(4-chlorophenoxy)phenyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]pyridine (CID 141210072) is 3-[[3-[4-(4-chlorophenoxy)phenyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]pyridine.
What is the SMILES notation for 3-[[3-[4-(4-chlorophenoxy)phenyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]pyridine?
The canonical SMILES for 3-[[3-[4-(4-chlorophenoxy)phenyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]pyridine is FC(F)(F)c1cccc(C2CN(Cc3cccnc3)CN2c2ccc(Oc3ccc(Cl)cc3)cc2)c1.
What is the InChIKey of 3-[[3-[4-(4-chlorophenoxy)phenyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]pyridine?
The InChIKey is VGFFASUROQJBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClF3N3O/c29-23-6-10-25(11-7-23)36-26-12-8-24(9-13-26)35-19-34(17-20-3-2-14-33-16-20)18-27(35)21-4-1-5-22(15-21)28(30,31)32/h1-16,27H,17-19H2.
What are the key properties of 3-[[3-[4-(4-chlorophenoxy)phenyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]pyridine?
3-[[3-[4-(4-chlorophenoxy)phenyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]pyridine has a molecular weight of 509.96 g/mol, XLogP of 7.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[4-(4-chlorophenoxy)phenyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]pyridine is sourced from PubChem (CID 141210072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).