1-[2-[3-[4-(4-chlorophenoxy)phenyl]-2-methylidene-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]ethyl]piperidine

C30H31ClF3N3O — CID 89265398

IUPAC1-[2-[3-[4-(4-chlorophenoxy)phenyl]-2-methylidene-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]ethyl]piperidine
SMILESC=C1N(CCN2CCCCC2)CC(c2cccc(C(F)(F)F)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C30H31ClF3N3O/c1-22-36(19-18-35-16-3-2-4-17-35)21-29(23-6-5-7-24(20-23)30(32,33)34)37(22)26-10-14-28(15-11-26)38-27-12-8-25(31)9-13-27/h5-15,20,29H,1-4,16-19,21H2
InChIKeyKOIXSVBEUSGZLO-UHFFFAOYSA-N
MW542.05 g/mol
LogP7.97
Rot. Bonds7

About 1-[2-[3-[4-(4-chlorophenoxy)phenyl]-2-methylidene-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]ethyl]piperidine

1-[2-[3-[4-(4-chlorophenoxy)phenyl]-2-methylidene-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]ethyl]piperidine (PubChem CID 89265398) has the molecular formula C30H31ClF3N3O and a molecular weight of 542.05 g/mol. Its IUPAC name is 1-[2-[3-[4-(4-chlorophenoxy)phenyl]-2-methylidene-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[3-[4-(4-chlorophenoxy)phenyl]-2-methylidene-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]ethyl]piperidine
PubChem CID89265398
Molecular FormulaC30H31ClF3N3O
Molecular Weight542.05 g/mol
Exact Mass541.21
IUPAC Name1-[2-[3-[4-(4-chlorophenoxy)phenyl]-2-methylidene-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]ethyl]piperidine
SMILESC=C1N(CCN2CCCCC2)CC(c2cccc(C(F)(F)F)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C30H31ClF3N3O/c1-22-36(19-18-35-16-3-2-4-17-35)21-29(23-6-5-7-24(20-23)30(32,33)34)37(22)26-10-14-28(15-11-26)38-27-12-8-25(31)9-13-27/h5-15,20,29H,1-4,16-19,21H2
InChIKeyKOIXSVBEUSGZLO-UHFFFAOYSA-N
XLogP7.97
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.05
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-1-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 68704352
3-[4-(4-chlorophenoxy)phenyl]-1-(3-nitrosopropyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 143702820
3-[(4S)-3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]propanamide
CID 59485935
3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 68703968
acetonitrile;1-[4-(4-chlorophenoxy)phenyl]-2-methylidene-5-[3-(trifluoromethyl)phenyl]imidazolidine
CID 143702816
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
tert-butyl 2-[[2-[3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetyl]amino]acetate
CID 86645369
2-[3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 59486067
(4S)-3-(4-chlorophenyl)-1-[3-[4-[hydroxy(methyl)amino]piperazin-1-yl]propyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 162599914
3-(4-chlorophenyl)-1-[3-(3-methylpyrrolidin-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 143702907
[[3-[4-(4-chlorophenoxy)phenyl]-1-(2-morpholin-4-ylethyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-yl]-ethyl-λ3-iodanyl]formonitrile
CID 143702873

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[4-(4-chlorophenoxy)phenyl]-2-methylidene-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]ethyl]piperidine?
The IUPAC name of 1-[2-[3-[4-(4-chlorophenoxy)phenyl]-2-methylidene-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]ethyl]piperidine (CID 89265398) is 1-[2-[3-[4-(4-chlorophenoxy)phenyl]-2-methylidene-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]ethyl]piperidine.
What is the SMILES notation for 1-[2-[3-[4-(4-chlorophenoxy)phenyl]-2-methylidene-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]ethyl]piperidine?
The canonical SMILES for 1-[2-[3-[4-(4-chlorophenoxy)phenyl]-2-methylidene-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]ethyl]piperidine is C=C1N(CCN2CCCCC2)CC(c2cccc(C(F)(F)F)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[2-[3-[4-(4-chlorophenoxy)phenyl]-2-methylidene-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]ethyl]piperidine?
The InChIKey is KOIXSVBEUSGZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31ClF3N3O/c1-22-36(19-18-35-16-3-2-4-17-35)21-29(23-6-5-7-24(20-23)30(32,33)34)37(22)26-10-14-28(15-11-26)38-27-12-8-25(31)9-13-27/h5-15,20,29H,1-4,16-19,21H2.
What are the key properties of 1-[2-[3-[4-(4-chlorophenoxy)phenyl]-2-methylidene-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]ethyl]piperidine?
1-[2-[3-[4-(4-chlorophenoxy)phenyl]-2-methylidene-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]ethyl]piperidine has a molecular weight of 542.05 g/mol, XLogP of 7.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[4-(4-chlorophenoxy)phenyl]-2-methylidene-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]ethyl]piperidine is sourced from PubChem (CID 89265398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).