3-(4-chlorophenyl)-1-[3-(3-methylpyrrolidin-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

C24H27ClF3N3O — CID 143702907

IUPAC3-(4-chlorophenyl)-1-[3-(3-methylpyrrolidin-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESCC1CCN(CCCN2CC(c3cccc(C(F)(F)F)c3)N(c3ccc(Cl)cc3)C2=O)C1
InChIInChI=1S/C24H27ClF3N3O/c1-17-10-13-29(15-17)11-3-12-30-16-22(18-4-2-5-19(14-18)24(26,27)28)31(23(30)32)21-8-6-20(25)7-9-21/h2,4-9,14,17,22H,3,10-13,15-16H2,1H3
InChIKeyKUJVVAUFKUKQDO-UHFFFAOYSA-N
MW465.95 g/mol
LogP6.07
Rot. Bonds6

About 3-(4-chlorophenyl)-1-[3-(3-methylpyrrolidin-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

3-(4-chlorophenyl)-1-[3-(3-methylpyrrolidin-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (PubChem CID 143702907) has the molecular formula C24H27ClF3N3O and a molecular weight of 465.95 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[3-(3-methylpyrrolidin-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-[3-(3-methylpyrrolidin-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
PubChem CID143702907
Molecular FormulaC24H27ClF3N3O
Molecular Weight465.95 g/mol
Exact Mass465.18
IUPAC Name3-(4-chlorophenyl)-1-[3-(3-methylpyrrolidin-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESCC1CCN(CCCN2CC(c3cccc(C(F)(F)F)c3)N(c3ccc(Cl)cc3)C2=O)C1
InChIInChI=1S/C24H27ClF3N3O/c1-17-10-13-29(15-17)11-3-12-30-16-22(18-4-2-5-19(14-18)24(26,27)28)31(23(30)32)21-8-6-20(25)7-9-21/h2,4-9,14,17,22H,3,10-13,15-16H2,1H3
InChIKeyKUJVVAUFKUKQDO-UHFFFAOYSA-N
XLogP6.07
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.95
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 68703968
3-(4-chlorophenyl)-1-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 68704352
(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-(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
3-[(4S)-3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]propanamide
CID 59485935
2-[3-(4-chlorophenyl)-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]-N-propylacetamide
CID 68703664
1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 68705803
3-[[3-(4-chlorophenyl)-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-1,2-oxazole-5-carboxylate
CID 154064021
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
1-[2-[3-[4-(4-chlorophenoxy)phenyl]-2-methylidene-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]ethyl]piperidine
CID 89265398

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-[3-(3-methylpyrrolidin-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The IUPAC name of 3-(4-chlorophenyl)-1-[3-(3-methylpyrrolidin-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (CID 143702907) is 3-(4-chlorophenyl)-1-[3-(3-methylpyrrolidin-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-1-[3-(3-methylpyrrolidin-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-1-[3-(3-methylpyrrolidin-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is CC1CCN(CCCN2CC(c3cccc(C(F)(F)F)c3)N(c3ccc(Cl)cc3)C2=O)C1.
What is the InChIKey of 3-(4-chlorophenyl)-1-[3-(3-methylpyrrolidin-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The InChIKey is KUJVVAUFKUKQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClF3N3O/c1-17-10-13-29(15-17)11-3-12-30-16-22(18-4-2-5-19(14-18)24(26,27)28)31(23(30)32)21-8-6-20(25)7-9-21/h2,4-9,14,17,22H,3,10-13,15-16H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-1-[3-(3-methylpyrrolidin-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
3-(4-chlorophenyl)-1-[3-(3-methylpyrrolidin-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one has a molecular weight of 465.95 g/mol, XLogP of 6.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-[3-(3-methylpyrrolidin-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 143702907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).