4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-(4-fluorophenyl)-1-(oxan-4-yl)imidazolidin-2-one

C24H23F7N2O3 — CID 10229773

IUPAC4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-(4-fluorophenyl)-1-(oxan-4-yl)imidazolidin-2-one
SMILESO=C1NC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccc(F)cc2)CN1C1CCOCC1
InChIInChI=1S/C24H23F7N2O3/c25-19-3-1-16(2-4-19)22(13-33(21(34)32-22)20-5-7-35-8-6-20)14-36-12-15-9-17(23(26,27)28)11-18(10-15)24(29,30)31/h1-4,9-11,20H,5-8,12-14H2,(H,32,34)
InChIKeyFCCNSXPJGYKSAJ-UHFFFAOYSA-N
MW520.45 g/mol
LogP5.48
Rot. Bonds6

About 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-(4-fluorophenyl)-1-(oxan-4-yl)imidazolidin-2-one

4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-(4-fluorophenyl)-1-(oxan-4-yl)imidazolidin-2-one (PubChem CID 10229773) has the molecular formula C24H23F7N2O3 and a molecular weight of 520.45 g/mol. Its IUPAC name is 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-(4-fluorophenyl)-1-(oxan-4-yl)imidazolidin-2-one.

Molecular Properties

Compound Name4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-(4-fluorophenyl)-1-(oxan-4-yl)imidazolidin-2-one
PubChem CID10229773
Molecular FormulaC24H23F7N2O3
Molecular Weight520.45 g/mol
Exact Mass520.16
IUPAC Name4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-(4-fluorophenyl)-1-(oxan-4-yl)imidazolidin-2-one
SMILESO=C1NC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccc(F)cc2)CN1C1CCOCC1
InChIInChI=1S/C24H23F7N2O3/c25-19-3-1-16(2-4-19)22(13-33(21(34)32-22)20-5-7-35-8-6-20)14-36-12-15-9-17(23(26,27)28)11-18(10-15)24(29,30)31/h1-4,9-11,20H,5-8,12-14H2,(H,32,34)
InChIKeyFCCNSXPJGYKSAJ-UHFFFAOYSA-N
XLogP5.48
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.45
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-(4-fluorophenyl)-1-(oxan-4-yl)imidazolidin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-(4-fluorophenyl)-1-(oxan-4-yl)imidazolidin-2-one?
The IUPAC name of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-(4-fluorophenyl)-1-(oxan-4-yl)imidazolidin-2-one (CID 10229773) is 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-(4-fluorophenyl)-1-(oxan-4-yl)imidazolidin-2-one.
What is the SMILES notation for 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-(4-fluorophenyl)-1-(oxan-4-yl)imidazolidin-2-one?
The canonical SMILES for 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-(4-fluorophenyl)-1-(oxan-4-yl)imidazolidin-2-one is O=C1NC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccc(F)cc2)CN1C1CCOCC1.
What is the InChIKey of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-(4-fluorophenyl)-1-(oxan-4-yl)imidazolidin-2-one?
The InChIKey is FCCNSXPJGYKSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F7N2O3/c25-19-3-1-16(2-4-19)22(13-33(21(34)32-22)20-5-7-35-8-6-20)14-36-12-15-9-17(23(26,27)28)11-18(10-15)24(29,30)31/h1-4,9-11,20H,5-8,12-14H2,(H,32,34).
What are the key properties of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-(4-fluorophenyl)-1-(oxan-4-yl)imidazolidin-2-one?
4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-(4-fluorophenyl)-1-(oxan-4-yl)imidazolidin-2-one has a molecular weight of 520.45 g/mol, XLogP of 5.48, 6 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]-4-(4-fluorophenyl)-1-(oxan-4-yl)imidazolidin-2-one is sourced from PubChem (CID 10229773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).