3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione

C29H34F6N2O5 — CID 24986301

IUPAC3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione
SMILESCCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCCCN1C(=O)NC(C)(c2ccc(OC(C)C)cc2)C1=O
InChIInChI=1S/C29H34F6N2O5/c1-5-8-19-17-21(27(40,28(30,31)32)29(33,34)35)11-14-23(19)41-16-7-6-15-37-24(38)26(4,36-25(37)39)20-9-12-22(13-10-20)42-18(2)3/h9-14,17-18,40H,5-8,15-16H2,1-4H3,(H,36,39)
InChIKeyCPQCGFUJBVRNLS-UHFFFAOYSA-N
MW604.59 g/mol
LogP6.36
Rot. Bonds12

About 3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione

3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione (PubChem CID 24986301) has the molecular formula C29H34F6N2O5 and a molecular weight of 604.59 g/mol. Its IUPAC name is 3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione
PubChem CID24986301
Molecular FormulaC29H34F6N2O5
Molecular Weight604.59 g/mol
Exact Mass604.24
IUPAC Name3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione
SMILESCCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCCCN1C(=O)NC(C)(c2ccc(OC(C)C)cc2)C1=O
InChIInChI=1S/C29H34F6N2O5/c1-5-8-19-17-21(27(40,28(30,31)32)29(33,34)35)11-14-23(19)41-16-7-6-15-37-24(38)26(4,36-25(37)39)20-9-12-22(13-10-20)42-18(2)3/h9-14,17-18,40H,5-8,15-16H2,1-4H3,(H,36,39)
InChIKeyCPQCGFUJBVRNLS-UHFFFAOYSA-N
XLogP6.36
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.59
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione with MolForge

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Related Compounds

CID 24808559
CID 24808559
3-[4-[2,6-Dipropyl-4-[1-hydroxy-1-(trifluoromethyl)-2,2,2-trifluoroethyl]phenoxy]butyl]-5-methyl-5-(4-isopropoxyphenyl)imidazolidine-2,4-dione
CID 56589730
5-(4-methoxyphenyl)-5-methyl-3-[4-[[4-propyl-1,1-bis(trifluoromethyl)-3H-2-benzofuran-5-yl]oxy]butyl]imidazolidine-2,4-dione
CID 57900760
5-(4-Methoxyphenyl)-5-methyl-3-[4-[2-oxo-6,8-dipropyl-4-(trifluoromethyl)chromen-7-yl]oxybutyl]imidazolidine-2,4-dione
CID 57962891
CID 59200977
CID 59200977
CID 59201075
CID 59201075
CID 59201087
CID 59201087
CID 59201131
CID 59201131
CID 59234921
CID 59234921
CID 59234955
CID 59234955
CID 59234958
CID 59234958
CID 59234986
CID 59234986

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione (CID 24986301) is 3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione is CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCCCN1C(=O)NC(C)(c2ccc(OC(C)C)cc2)C1=O.
What is the InChIKey of 3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione?
The InChIKey is CPQCGFUJBVRNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34F6N2O5/c1-5-8-19-17-21(27(40,28(30,31)32)29(33,34)35)11-14-23(19)41-16-7-6-15-37-24(38)26(4,36-25(37)39)20-9-12-22(13-10-20)42-18(2)3/h9-14,17-18,40H,5-8,15-16H2,1-4H3,(H,36,39).
What are the key properties of 3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione?
3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione has a molecular weight of 604.59 g/mol, XLogP of 6.36, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 24986301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).