4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-[2-(dimethylamino)ethyl]-4-phenylimidazolidin-2-one

C23H25F6N3O2 — CID 10141131

IUPAC4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-[2-(dimethylamino)ethyl]-4-phenylimidazolidin-2-one
SMILESCN(C)CCN1CC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)NC1=O
InChIInChI=1S/C23H25F6N3O2/c1-31(2)8-9-32-14-21(30-20(32)33,17-6-4-3-5-7-17)15-34-13-16-10-18(22(24,25)26)12-19(11-16)23(27,28)29/h3-7,10-12H,8-9,13-15H2,1-2H3,(H,30,33)
InChIKeyLPBHZSOCSDHQKB-UHFFFAOYSA-N
MW489.46 g/mol
LogP4.72
Rot. Bonds8

About 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-[2-(dimethylamino)ethyl]-4-phenylimidazolidin-2-one

4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-[2-(dimethylamino)ethyl]-4-phenylimidazolidin-2-one (PubChem CID 10141131) has the molecular formula C23H25F6N3O2 and a molecular weight of 489.46 g/mol. Its IUPAC name is 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-[2-(dimethylamino)ethyl]-4-phenylimidazolidin-2-one.

Molecular Properties

Compound Name4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-[2-(dimethylamino)ethyl]-4-phenylimidazolidin-2-one
PubChem CID10141131
Molecular FormulaC23H25F6N3O2
Molecular Weight489.46 g/mol
Exact Mass489.19
IUPAC Name4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-[2-(dimethylamino)ethyl]-4-phenylimidazolidin-2-one
SMILESCN(C)CCN1CC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)NC1=O
InChIInChI=1S/C23H25F6N3O2/c1-31(2)8-9-32-14-21(30-20(32)33,17-6-4-3-5-7-17)15-34-13-16-10-18(22(24,25)26)12-19(11-16)23(27,28)29/h3-7,10-12H,8-9,13-15H2,1-2H3,(H,30,33)
InChIKeyLPBHZSOCSDHQKB-UHFFFAOYSA-N
XLogP4.72
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.46
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-((3S,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-6-phenylpiperidin-3-yl)urea
CID 10128131
2-((R)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-4-(4-fluorophenyl)-2-oxoimidazolidin-1-yl)acetamide
CID 10164354
4-((3,5-Bis(trifluoromethyl)benzyloxy)methyl)-4-(4-fluorophenyl)-1-(piperidin-4-yl)imidazolidin-2-one
CID 10231172
N-((3S,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-6-phenylpiperidin-3-yl)acetamide
CID 10288987
(R)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-4-phenylimidazolidin-2-one
CID 10296442
1-((3S,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-6-phenylpiperidin-3-yl)imidazolidin-2-one
CID 10311496
4-((3,5-Bis(trifluoromethyl)benzyloxy)methyl)-4-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)imidazolidin-2-one
CID 22960738
1-((3S,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-6-phenylpiperidin-3-yl)pyrrolidin-2-one
CID 52943331
N-((3R,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-6-phenylpiperidin-3-yl)acetamide
CID 52943450
(R)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-1-methyl-4-phenylimidazolidin-2-one
CID 44407938
(R)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-1-ethyl-4-(4-fluorophenyl)imidazolidin-2-one
CID 44408107
(3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)-N-methylpyrrolidine-1-carboxamide
CID 44444658

Frequently Asked Questions

What is the IUPAC name of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-[2-(dimethylamino)ethyl]-4-phenylimidazolidin-2-one?
The IUPAC name of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-[2-(dimethylamino)ethyl]-4-phenylimidazolidin-2-one (CID 10141131) is 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-[2-(dimethylamino)ethyl]-4-phenylimidazolidin-2-one.
What is the SMILES notation for 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-[2-(dimethylamino)ethyl]-4-phenylimidazolidin-2-one?
The canonical SMILES for 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-[2-(dimethylamino)ethyl]-4-phenylimidazolidin-2-one is CN(C)CCN1CC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)NC1=O.
What is the InChIKey of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-[2-(dimethylamino)ethyl]-4-phenylimidazolidin-2-one?
The InChIKey is LPBHZSOCSDHQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F6N3O2/c1-31(2)8-9-32-14-21(30-20(32)33,17-6-4-3-5-7-17)15-34-13-16-10-18(22(24,25)26)12-19(11-16)23(27,28)29/h3-7,10-12H,8-9,13-15H2,1-2H3,(H,30,33).
What are the key properties of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-[2-(dimethylamino)ethyl]-4-phenylimidazolidin-2-one?
4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-[2-(dimethylamino)ethyl]-4-phenylimidazolidin-2-one has a molecular weight of 489.46 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-[2-(dimethylamino)ethyl]-4-phenylimidazolidin-2-one is sourced from PubChem (CID 10141131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).