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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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).