4-hydroxy-3-[3-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypropyl]-1-propan-2-ylimidazol-2-one

C22H25F3N2O5 — CID 91293803

IUPAC4-hydroxy-3-[3-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypropyl]-1-propan-2-ylimidazol-2-one
SMILESCCCc1c(OCCCn2c(O)cn(C(C)C)c2=O)ccc2c(C(F)(F)F)cc(=O)oc12
InChIInChI=1S/C22H25F3N2O5/c1-4-6-15-17(8-7-14-16(22(23,24)25)11-19(29)32-20(14)15)31-10-5-9-26-18(28)12-27(13(2)3)21(26)30/h7-8,11-13,28H,4-6,9-10H2,1-3H3
InChIKeyYGHSVDWNELGUIJ-UHFFFAOYSA-N
MW454.45 g/mol
LogP4.48
Rot. Bonds8

About 4-hydroxy-3-[3-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypropyl]-1-propan-2-ylimidazol-2-one

4-hydroxy-3-[3-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypropyl]-1-propan-2-ylimidazol-2-one (PubChem CID 91293803) has the molecular formula C22H25F3N2O5 and a molecular weight of 454.45 g/mol. Its IUPAC name is 4-hydroxy-3-[3-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypropyl]-1-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[3-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypropyl]-1-propan-2-ylimidazol-2-one
PubChem CID91293803
Molecular FormulaC22H25F3N2O5
Molecular Weight454.45 g/mol
Exact Mass454.17
IUPAC Name4-hydroxy-3-[3-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypropyl]-1-propan-2-ylimidazol-2-one
SMILESCCCc1c(OCCCn2c(O)cn(C(C)C)c2=O)ccc2c(C(F)(F)F)cc(=O)oc12
InChIInChI=1S/C22H25F3N2O5/c1-4-6-15-17(8-7-14-16(22(23,24)25)11-19(29)32-20(14)15)31-10-5-9-26-18(28)12-27(13(2)3)21(26)30/h7-8,11-13,28H,4-6,9-10H2,1-3H3
InChIKeyYGHSVDWNELGUIJ-UHFFFAOYSA-N
XLogP4.48
TPSA86.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.45
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 4-hydroxy-3-[3-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypropyl]-1-propan-2-ylimidazol-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

Related Compounds

4-hydroxy-3-[5-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypentyl]-1-(2,2,2-trifluoroethyl)imidazol-2-one
CID 90776894
1-(2,5-difluorophenyl)-4-hydroxy-3-[5-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypentyl]imidazol-2-one
CID 90932247
4-hydroxy-3-[5-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypentyl]-1-[3-(trifluoromethyl)phenyl]imidazol-2-one
CID 91039668
4-hydroxy-3-[2-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxyethyl]-1,3-thiazol-2-one
CID 91002320
3-[3-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypropyl]triazolidin-4-one
CID 162557380
7-[5-(3-propan-2-ylimidazolidin-1-yl)pentoxy]-8-propyl-4-(trifluoromethyl)chromen-2-one
CID 87480962
7-(6-aminohexoxy)-8-propyl-4-(trifluoromethyl)chromen-2-one
CID 89009766
5-methyl-3-[4-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxybutyl]-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione
CID 87263742
7-[4-(2,5-dihydroxypyrrol-1-yl)butoxy]-8-ethyl-6-propyl-4-(trifluoromethyl)chromen-2-one
CID 90781803
3-[3-[8-ethyl-2-oxo-6-propyl-4-(trifluoromethyl)chromen-7-yl]oxypropyl]-4-hydroxy-1,3-thiazol-2-one
CID 90823087
tert-butyl 4-[4-methyl-2,5-dioxo-3-[4-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxybutyl]imidazolidin-4-yl]benzoate
CID 89147675
7-butoxy-8-chloro-4-(trifluoromethyl)chromen-2-one
CID 159075994

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[3-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypropyl]-1-propan-2-ylimidazol-2-one?
The IUPAC name of 4-hydroxy-3-[3-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypropyl]-1-propan-2-ylimidazol-2-one (CID 91293803) is 4-hydroxy-3-[3-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypropyl]-1-propan-2-ylimidazol-2-one.
What is the SMILES notation for 4-hydroxy-3-[3-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypropyl]-1-propan-2-ylimidazol-2-one?
The canonical SMILES for 4-hydroxy-3-[3-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypropyl]-1-propan-2-ylimidazol-2-one is CCCc1c(OCCCn2c(O)cn(C(C)C)c2=O)ccc2c(C(F)(F)F)cc(=O)oc12.
What is the InChIKey of 4-hydroxy-3-[3-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypropyl]-1-propan-2-ylimidazol-2-one?
The InChIKey is YGHSVDWNELGUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O5/c1-4-6-15-17(8-7-14-16(22(23,24)25)11-19(29)32-20(14)15)31-10-5-9-26-18(28)12-27(13(2)3)21(26)30/h7-8,11-13,28H,4-6,9-10H2,1-3H3.
What are the key properties of 4-hydroxy-3-[3-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypropyl]-1-propan-2-ylimidazol-2-one?
4-hydroxy-3-[3-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypropyl]-1-propan-2-ylimidazol-2-one has a molecular weight of 454.45 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[3-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypropyl]-1-propan-2-ylimidazol-2-one is sourced from PubChem (CID 91293803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).