5-methyl-3-[4-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxybutyl]-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione

C30H33F3N2O6 — CID 87263742

IUPAC5-methyl-3-[4-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxybutyl]-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione
SMILESCCCc1c(OCCCCN2C(=O)NC(C)(c3ccc(OC(C)C)cc3)C2=O)ccc2c(C(F)(F)F)cc(=O)oc12
InChIInChI=1S/C30H33F3N2O6/c1-5-8-22-24(14-13-21-23(30(31,32)33)17-25(36)41-26(21)22)39-16-7-6-15-35-27(37)29(4,34-28(35)38)19-9-11-20(12-10-19)40-18(2)3/h9-14,17-18H,5-8,15-16H2,1-4H3,(H,34,38)
InChIKeyDAIODDIHZJCKCQ-UHFFFAOYSA-N
MW574.60 g/mol
LogP6.18
Rot. Bonds11

About 5-methyl-3-[4-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxybutyl]-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione

5-methyl-3-[4-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxybutyl]-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione (PubChem CID 87263742) has the molecular formula C30H33F3N2O6 and a molecular weight of 574.60 g/mol. Its IUPAC name is 5-methyl-3-[4-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxybutyl]-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-3-[4-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxybutyl]-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione
PubChem CID87263742
Molecular FormulaC30H33F3N2O6
Molecular Weight574.60 g/mol
Exact Mass574.23
IUPAC Name5-methyl-3-[4-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxybutyl]-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione
SMILESCCCc1c(OCCCCN2C(=O)NC(C)(c3ccc(OC(C)C)cc3)C2=O)ccc2c(C(F)(F)F)cc(=O)oc12
InChIInChI=1S/C30H33F3N2O6/c1-5-8-22-24(14-13-21-23(30(31,32)33)17-25(36)41-26(21)22)39-16-7-6-15-35-27(37)29(4,34-28(35)38)19-9-11-20(12-10-19)40-18(2)3/h9-14,17-18H,5-8,15-16H2,1-4H3,(H,34,38)
InChIKeyDAIODDIHZJCKCQ-UHFFFAOYSA-N
XLogP6.18
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.60
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-methyl-3-[5-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypentyl]imidazolidine-2,4-dione
CID 87480937
3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methylphenoxy]butyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione
CID 59235048
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
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
3-[3-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypropyl]triazolidin-4-one
CID 162557380
3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-5-methyl-5-(6-propan-2-yloxy-3-pyridinyl)imidazolidine-2,4-dione
CID 59234984
4-hydroxy-3-[3-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypropyl]-1-propan-2-ylimidazol-2-one
CID 91293803
4-hydroxy-3-[5-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypentyl]-1-(2,2,2-trifluoroethyl)imidazol-2-one
CID 90776894
5-(1,3-benzodioxol-5-yl)-5-ethyl-3-[4-[4-(fluoromethyl)-2-oxo-8-propylchromen-7-yl]oxybutyl]imidazolidine-2,4-dione
CID 88954578
4-hydroxy-3-[2-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxyethyl]-1,3-thiazol-2-one
CID 91002320
5-(4-bromophenyl)-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methylimidazolidine-2,4-dione
CID 24991784

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[4-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxybutyl]-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione?
The IUPAC name of 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) is 5-methyl-3-[4-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxybutyl]-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-3-[4-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxybutyl]-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-3-[4-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxybutyl]-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione is CCCc1c(OCCCCN2C(=O)NC(C)(c3ccc(OC(C)C)cc3)C2=O)ccc2c(C(F)(F)F)cc(=O)oc12.
What is the InChIKey of 5-methyl-3-[4-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxybutyl]-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione?
The InChIKey is DAIODDIHZJCKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33F3N2O6/c1-5-8-22-24(14-13-21-23(30(31,32)33)17-25(36)41-26(21)22)39-16-7-6-15-35-27(37)29(4,34-28(35)38)19-9-11-20(12-10-19)40-18(2)3/h9-14,17-18H,5-8,15-16H2,1-4H3,(H,34,38).
What are the key properties of 5-methyl-3-[4-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxybutyl]-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione?
5-methyl-3-[4-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxybutyl]-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione has a molecular weight of 574.60 g/mol, XLogP of 6.18, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[4-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxybutyl]-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 87263742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).