5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-hydroxy-5-phenyl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one

C25H27F6N3O3 — CID 162602689

IUPAC5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-hydroxy-5-phenyl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one
SMILESO=C1N(CCN2CCCC2)C(O)NC1(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C25H27F6N3O3/c26-24(27,28)19-12-17(13-20(14-19)25(29,30)31)15-37-16-23(18-6-2-1-3-7-18)21(35)34(22(36)32-23)11-10-33-8-4-5-9-33/h1-3,6-7,12-14,22,32,36H,4-5,8-11,15-16H2
InChIKeyRLAVJTHXVLDICW-UHFFFAOYSA-N
MW531.50 g/mol
LogP3.94
Rot. Bonds8

About 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-hydroxy-5-phenyl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one

5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-hydroxy-5-phenyl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one (PubChem CID 162602689) has the molecular formula C25H27F6N3O3 and a molecular weight of 531.50 g/mol. Its IUPAC name is 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-hydroxy-5-phenyl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-hydroxy-5-phenyl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one
PubChem CID162602689
Molecular FormulaC25H27F6N3O3
Molecular Weight531.50 g/mol
Exact Mass531.20
IUPAC Name5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-hydroxy-5-phenyl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one
SMILESO=C1N(CCN2CCCC2)C(O)NC1(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C25H27F6N3O3/c26-24(27,28)19-12-17(13-20(14-19)25(29,30)31)15-37-16-23(18-6-2-1-3-7-18)21(35)34(22(36)32-23)11-10-33-8-4-5-9-33/h1-3,6-7,12-14,22,32,36H,4-5,8-11,15-16H2
InChIKeyRLAVJTHXVLDICW-UHFFFAOYSA-N
XLogP3.94
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.50
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-hydroxy-5-phenyl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-(2-piperidin-1-ylethyl)imidazolidin-2-one
CID 22960743
(3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-methyl-3-phenylazepane
CID 71583096
2-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidin-1-yl]acetic acid
CID 19960197
4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-piperidin-1-ylimidazolidin-2-one
CID 154533305
4-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidin-1-yl]-2-methylbutanoic acid
CID 87236679
1-[(1-phenylcyclohexyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene
CID 71583093
4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-methyl-4-phenylimidazolidin-2-one
CID 22960728
4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-methylsulfonyl-4-phenylpiperidine
CID 10743826
methyl 4-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidin-1-yl]butanoate;hydrochloride
CID 19960232
2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpyrrolidine
CID 19960152
methyl 3-[[4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidin-1-yl]amino]-3-oxopropanoate
CID 10414699
tert-butyl 2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpyrrolidine-1-carboxylate
CID 19960250

Frequently Asked Questions

What is the IUPAC name of 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-hydroxy-5-phenyl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one?
The IUPAC name of 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-hydroxy-5-phenyl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one (CID 162602689) is 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-hydroxy-5-phenyl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one.
What is the SMILES notation for 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-hydroxy-5-phenyl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one?
The canonical SMILES for 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-hydroxy-5-phenyl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one is O=C1N(CCN2CCCC2)C(O)NC1(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-hydroxy-5-phenyl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one?
The InChIKey is RLAVJTHXVLDICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F6N3O3/c26-24(27,28)19-12-17(13-20(14-19)25(29,30)31)15-37-16-23(18-6-2-1-3-7-18)21(35)34(22(36)32-23)11-10-33-8-4-5-9-33/h1-3,6-7,12-14,22,32,36H,4-5,8-11,15-16H2.
What are the key properties of 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-hydroxy-5-phenyl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one?
5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-hydroxy-5-phenyl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one has a molecular weight of 531.50 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-hydroxy-5-phenyl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one is sourced from PubChem (CID 162602689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).