3-(4-bromophenyl)-4-ethyl-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

C18H16BrF3N2O — CID 14050274

IUPAC3-(4-bromophenyl)-4-ethyl-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESCCC1CN(c2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C18H16BrF3N2O/c1-2-14-11-23(16-5-3-4-12(10-16)18(20,21)22)17(25)24(14)15-8-6-13(19)7-9-15/h3-10,14H,2,11H2,1H3
InChIKeyJCKFVQWRKLOTGH-UHFFFAOYSA-N
MW413.24 g/mol
LogP5.69
Rot. Bonds3

About 3-(4-bromophenyl)-4-ethyl-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

3-(4-bromophenyl)-4-ethyl-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (PubChem CID 14050274) has the molecular formula C18H16BrF3N2O and a molecular weight of 413.24 g/mol. Its IUPAC name is 3-(4-bromophenyl)-4-ethyl-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-4-ethyl-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
PubChem CID14050274
Molecular FormulaC18H16BrF3N2O
Molecular Weight413.24 g/mol
Exact Mass412.04
IUPAC Name3-(4-bromophenyl)-4-ethyl-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESCCC1CN(c2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C18H16BrF3N2O/c1-2-14-11-23(16-5-3-4-12(10-16)18(20,21)22)17(25)24(14)15-8-6-13(19)7-9-15/h3-10,14H,2,11H2,1H3
InChIKeyJCKFVQWRKLOTGH-UHFFFAOYSA-N
XLogP5.69
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.24
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
CID 13284556
(3R,4R)-4-ethyl-1,3-bis[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 71351790
4-ethyl-1,3-bis[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 71341015
1-(4-bromophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 169336754
(4R)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-hydroxy-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 165166989
4-(2-ethylpiperidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 113188642
(2R,6S)-1-ethyl-2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 141425766
3-[3,5-bis(trifluoromethyl)phenyl]-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one
CID 138968163
5-methyl-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one
CID 143901480
(3R,4R)-3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 811359
(3R,4S)-4-(chloromethyl)-3-fluoro-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 70482571
2-ethyl-5-propyl-1-[3-(trifluoromethyl)phenyl]piperazine
CID 64930985

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-4-ethyl-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The IUPAC name of 3-(4-bromophenyl)-4-ethyl-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (CID 14050274) is 3-(4-bromophenyl)-4-ethyl-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 3-(4-bromophenyl)-4-ethyl-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The canonical SMILES for 3-(4-bromophenyl)-4-ethyl-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is CCC1CN(c2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-4-ethyl-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The InChIKey is JCKFVQWRKLOTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrF3N2O/c1-2-14-11-23(16-5-3-4-12(10-16)18(20,21)22)17(25)24(14)15-8-6-13(19)7-9-15/h3-10,14H,2,11H2,1H3.
What are the key properties of 3-(4-bromophenyl)-4-ethyl-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
3-(4-bromophenyl)-4-ethyl-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one has a molecular weight of 413.24 g/mol, XLogP of 5.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-4-ethyl-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 14050274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).