5-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methylimidazolidine-2,4-dione

C35H38F6N2O7 — CID 59234945

IUPAC5-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methylimidazolidine-2,4-dione
SMILESCCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCCCN1C(=O)NC(C)(c2ccc(OCc3cc(OC)cc(OC)c3)cc2)C1=O
InChIInChI=1S/C35H38F6N2O7/c1-5-8-23-19-25(33(46,34(36,37)38)35(39,40)41)11-14-29(23)49-16-7-6-15-43-30(44)32(2,42-31(43)45)24-9-12-26(13-10-24)50-21-22-17-27(47-3)20-28(18-22)48-4/h9-14,17-20,46H,5-8,15-16,21H2,1-4H3,(H,42,45)
InChIKeyJPKRDYNPKGEVOL-UHFFFAOYSA-N
MW712.68 g/mol
LogP7.17
Rot. Bonds15

About 5-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methylimidazolidine-2,4-dione

5-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methylimidazolidine-2,4-dione (PubChem CID 59234945) has the molecular formula C35H38F6N2O7 and a molecular weight of 712.68 g/mol. Its IUPAC name is 5-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methylimidazolidine-2,4-dione
PubChem CID59234945
Molecular FormulaC35H38F6N2O7
Molecular Weight712.68 g/mol
Exact Mass712.26
IUPAC Name5-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methylimidazolidine-2,4-dione
SMILESCCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCCCN1C(=O)NC(C)(c2ccc(OCc3cc(OC)cc(OC)c3)cc2)C1=O
InChIInChI=1S/C35H38F6N2O7/c1-5-8-23-19-25(33(46,34(36,37)38)35(39,40)41)11-14-29(23)49-16-7-6-15-43-30(44)32(2,42-31(43)45)24-9-12-26(13-10-24)50-21-22-17-27(47-3)20-28(18-22)48-4/h9-14,17-20,46H,5-8,15-16,21H2,1-4H3,(H,42,45)
InChIKeyJPKRDYNPKGEVOL-UHFFFAOYSA-N
XLogP7.17
TPSA106.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.68
LogP ≤ 57.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methylimidazolidine-2,4-dione (CID 59234945) is 5-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methylimidazolidine-2,4-dione is CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCCCN1C(=O)NC(C)(c2ccc(OCc3cc(OC)cc(OC)c3)cc2)C1=O.
What is the InChIKey of 5-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is JPKRDYNPKGEVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38F6N2O7/c1-5-8-23-19-25(33(46,34(36,37)38)35(39,40)41)11-14-29(23)49-16-7-6-15-43-30(44)32(2,42-31(43)45)24-9-12-26(13-10-24)50-21-22-17-27(47-3)20-28(18-22)48-4/h9-14,17-20,46H,5-8,15-16,21H2,1-4H3,(H,42,45).
What are the key properties of 5-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methylimidazolidine-2,4-dione?
5-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 712.68 g/mol, XLogP of 7.17, 15 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 59234945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).