(5S)-1-[1-(4-chlorophenyl)-2-oxo-2-piperidin-1-ylethyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

C23H23ClF3N3O2 — CID 69044587

IUPAC(5S)-1-[1-(4-chlorophenyl)-2-oxo-2-piperidin-1-ylethyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESO=C(C(c1ccc(Cl)cc1)N1C(=O)NC[C@@H]1c1cccc(C(F)(F)F)c1)N1CCCCC1
InChIInChI=1S/C23H23ClF3N3O2/c24-18-9-7-15(8-10-18)20(21(31)29-11-2-1-3-12-29)30-19(14-28-22(30)32)16-5-4-6-17(13-16)23(25,26)27/h4-10,13,19-20H,1-3,11-12,14H2,(H,28,32)/t19-,20?/m1/s1
InChIKeyNMPOGQWQSQHYFD-FIWHBWSRSA-N
MW465.90 g/mol
LogP5.18
Rot. Bonds4

About (5S)-1-[1-(4-chlorophenyl)-2-oxo-2-piperidin-1-ylethyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

(5S)-1-[1-(4-chlorophenyl)-2-oxo-2-piperidin-1-ylethyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (PubChem CID 69044587) has the molecular formula C23H23ClF3N3O2 and a molecular weight of 465.90 g/mol. Its IUPAC name is (5S)-1-[1-(4-chlorophenyl)-2-oxo-2-piperidin-1-ylethyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name(5S)-1-[1-(4-chlorophenyl)-2-oxo-2-piperidin-1-ylethyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
PubChem CID69044587
Molecular FormulaC23H23ClF3N3O2
Molecular Weight465.90 g/mol
Exact Mass465.14
IUPAC Name(5S)-1-[1-(4-chlorophenyl)-2-oxo-2-piperidin-1-ylethyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESO=C(C(c1ccc(Cl)cc1)N1C(=O)NC[C@@H]1c1cccc(C(F)(F)F)c1)N1CCCCC1
InChIInChI=1S/C23H23ClF3N3O2/c24-18-9-7-15(8-10-18)20(21(31)29-11-2-1-3-12-29)30-19(14-28-22(30)32)16-5-4-6-17(13-16)23(25,26)27/h4-10,13,19-20H,1-3,11-12,14H2,(H,28,32)/t19-,20?/m1/s1
InChIKeyNMPOGQWQSQHYFD-FIWHBWSRSA-N
XLogP5.18
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.90
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-1-[(4-chlorophenyl)-(6-piperidin-1-yl-3-pyridinyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 69045205
pyrrolidin-1-yl-[4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanone
CID 42680057
2-chloro-2-(4-chlorophenyl)-1-piperidin-1-ylethanone
CID 55047963
2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-[2-oxo-2-pyrrolidin-1-yl-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 58012017
1-(azetidin-1-yl)-2-[(2R,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethanone
CID 129471274
2-[3-(4-chlorophenyl)-7-iodo-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 10218786
acetonitrile;1-[4-(4-chlorophenoxy)phenyl]-2-methylidene-5-[3-(trifluoromethyl)phenyl]imidazolidine
CID 143702816
2-amino-3-(4-chlorophenyl)-3,3-difluoro-1-pyrrolidin-1-ylpropan-1-one
CID 135176138
(3S)-1-(4-chlorobenzoyl)-N'-[3-(trifluoromethyl)phenyl]piperidine-3-carbohydrazide
CID 95247853
3-hydroxy-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 130405713
3-[[3-(4-chlorophenyl)-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-1,2-oxazole-5-carboxylate
CID 154064021
N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzamide
CID 94667832

Frequently Asked Questions

What is the IUPAC name of (5S)-1-[1-(4-chlorophenyl)-2-oxo-2-piperidin-1-ylethyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The IUPAC name of (5S)-1-[1-(4-chlorophenyl)-2-oxo-2-piperidin-1-ylethyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (CID 69044587) is (5S)-1-[1-(4-chlorophenyl)-2-oxo-2-piperidin-1-ylethyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for (5S)-1-[1-(4-chlorophenyl)-2-oxo-2-piperidin-1-ylethyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The canonical SMILES for (5S)-1-[1-(4-chlorophenyl)-2-oxo-2-piperidin-1-ylethyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is O=C(C(c1ccc(Cl)cc1)N1C(=O)NC[C@@H]1c1cccc(C(F)(F)F)c1)N1CCCCC1.
What is the InChIKey of (5S)-1-[1-(4-chlorophenyl)-2-oxo-2-piperidin-1-ylethyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The InChIKey is NMPOGQWQSQHYFD-FIWHBWSRSA-N. The full InChI is InChI=1S/C23H23ClF3N3O2/c24-18-9-7-15(8-10-18)20(21(31)29-11-2-1-3-12-29)30-19(14-28-22(30)32)16-5-4-6-17(13-16)23(25,26)27/h4-10,13,19-20H,1-3,11-12,14H2,(H,28,32)/t19-,20?/m1/s1.
What are the key properties of (5S)-1-[1-(4-chlorophenyl)-2-oxo-2-piperidin-1-ylethyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
(5S)-1-[1-(4-chlorophenyl)-2-oxo-2-piperidin-1-ylethyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one has a molecular weight of 465.90 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[1-(4-chlorophenyl)-2-oxo-2-piperidin-1-ylethyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 69044587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).