1-(2,5-difluorophenyl)-4-hydroxy-3-[5-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypentyl]imidazol-2-one

C27H25F5N2O5 — CID 90932247

IUPAC1-(2,5-difluorophenyl)-4-hydroxy-3-[5-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypentyl]imidazol-2-one
SMILESCCCc1c(OCCCCCn2c(O)cn(-c3cc(F)ccc3F)c2=O)ccc2c(C(F)(F)F)cc(=O)oc12
InChIInChI=1S/C27H25F5N2O5/c1-2-6-18-22(10-8-17-19(27(30,31)32)14-24(36)39-25(17)18)38-12-5-3-4-11-33-23(35)15-34(26(33)37)21-13-16(28)7-9-20(21)29/h7-10,13-15,35H,2-6,11-12H2,1H3
InChIKeyCJHNTGHLFBFKKP-UHFFFAOYSA-N
MW552.50 g/mol
LogP5.95
Rot. Bonds10

About 1-(2,5-difluorophenyl)-4-hydroxy-3-[5-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypentyl]imidazol-2-one

1-(2,5-difluorophenyl)-4-hydroxy-3-[5-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypentyl]imidazol-2-one (PubChem CID 90932247) has the molecular formula C27H25F5N2O5 and a molecular weight of 552.50 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-4-hydroxy-3-[5-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypentyl]imidazol-2-one.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-4-hydroxy-3-[5-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypentyl]imidazol-2-one
PubChem CID90932247
Molecular FormulaC27H25F5N2O5
Molecular Weight552.50 g/mol
Exact Mass552.17
IUPAC Name1-(2,5-difluorophenyl)-4-hydroxy-3-[5-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypentyl]imidazol-2-one
SMILESCCCc1c(OCCCCCn2c(O)cn(-c3cc(F)ccc3F)c2=O)ccc2c(C(F)(F)F)cc(=O)oc12
InChIInChI=1S/C27H25F5N2O5/c1-2-6-18-22(10-8-17-19(27(30,31)32)14-24(36)39-25(17)18)38-12-5-3-4-11-33-23(35)15-34(26(33)37)21-13-16(28)7-9-20(21)29/h7-10,13-15,35H,2-6,11-12H2,1H3
InChIKeyCJHNTGHLFBFKKP-UHFFFAOYSA-N
XLogP5.95
TPSA86.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.50
LogP ≤ 55.95
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'}

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Related Compounds

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-[5-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypentyl]-1-(2,2,2-trifluoroethyl)imidazol-2-one
CID 90776894
4-hydroxy-3-[3-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypropyl]-1-propan-2-ylimidazol-2-one
CID 91293803
7-(6-aminohexoxy)-8-propyl-4-(trifluoromethyl)chromen-2-one
CID 89009766
4-hydroxy-3-[2-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxyethyl]-1,3-thiazol-2-one
CID 91002320
7-[5-(3-propan-2-ylimidazolidin-1-yl)pentoxy]-8-propyl-4-(trifluoromethyl)chromen-2-one
CID 87480962
3-[3-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypropyl]triazolidin-4-one
CID 162557380
7-[4-(2,5-dihydroxypyrrol-1-yl)butoxy]-8-ethyl-6-propyl-4-(trifluoromethyl)chromen-2-one
CID 90781803
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
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
2-amino-N-formyl-2-(4-methylphenyl)-N-[4-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxybutyl]propanamide
CID 143856029
7-butoxy-8-chloro-4-(trifluoromethyl)chromen-2-one
CID 159075994

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-4-hydroxy-3-[5-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypentyl]imidazol-2-one?
The IUPAC name of 1-(2,5-difluorophenyl)-4-hydroxy-3-[5-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypentyl]imidazol-2-one (CID 90932247) is 1-(2,5-difluorophenyl)-4-hydroxy-3-[5-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypentyl]imidazol-2-one.
What is the SMILES notation for 1-(2,5-difluorophenyl)-4-hydroxy-3-[5-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypentyl]imidazol-2-one?
The canonical SMILES for 1-(2,5-difluorophenyl)-4-hydroxy-3-[5-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypentyl]imidazol-2-one is CCCc1c(OCCCCCn2c(O)cn(-c3cc(F)ccc3F)c2=O)ccc2c(C(F)(F)F)cc(=O)oc12.
What is the InChIKey of 1-(2,5-difluorophenyl)-4-hydroxy-3-[5-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypentyl]imidazol-2-one?
The InChIKey is CJHNTGHLFBFKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F5N2O5/c1-2-6-18-22(10-8-17-19(27(30,31)32)14-24(36)39-25(17)18)38-12-5-3-4-11-33-23(35)15-34(26(33)37)21-13-16(28)7-9-20(21)29/h7-10,13-15,35H,2-6,11-12H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-4-hydroxy-3-[5-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypentyl]imidazol-2-one?
1-(2,5-difluorophenyl)-4-hydroxy-3-[5-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypentyl]imidazol-2-one has a molecular weight of 552.50 g/mol, XLogP of 5.95, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-4-hydroxy-3-[5-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypentyl]imidazol-2-one is sourced from PubChem (CID 90932247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).