3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-hydroxyphenyl]-2-oxoethyl]-5-methyl-5-(5-propan-2-yloxy-2-pyridinyl)imidazolidine-2,4-dione

C32H31F6N3O7 — CID 59201115

IUPAC3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-hydroxyphenyl]-2-oxoethyl]-5-methyl-5-(5-propan-2-yloxy-2-pyridinyl)imidazolidine-2,4-dione
SMILESCCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccc(C(=O)CN2C(=O)NC(C)(c3ccc(OC(C)C)cn3)C2=O)c(O)c1
InChIInChI=1S/C32H31F6N3O7/c1-5-6-18-13-19(30(46,31(33,34)35)32(36,37)38)7-11-25(18)48-20-8-10-22(23(42)14-20)24(43)16-41-27(44)29(4,40-28(41)45)26-12-9-21(15-39-26)47-17(2)3/h7-15,17,42,46H,5-6,16H2,1-4H3,(H,40,45)
InChIKeyPFNIPVRYLSNESB-UHFFFAOYSA-N
MW683.60 g/mol
LogP6.28
Rot. Bonds11

About 3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-hydroxyphenyl]-2-oxoethyl]-5-methyl-5-(5-propan-2-yloxy-2-pyridinyl)imidazolidine-2,4-dione

3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-hydroxyphenyl]-2-oxoethyl]-5-methyl-5-(5-propan-2-yloxy-2-pyridinyl)imidazolidine-2,4-dione (PubChem CID 59201115) has the molecular formula C32H31F6N3O7 and a molecular weight of 683.60 g/mol. Its IUPAC name is 3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-hydroxyphenyl]-2-oxoethyl]-5-methyl-5-(5-propan-2-yloxy-2-pyridinyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-hydroxyphenyl]-2-oxoethyl]-5-methyl-5-(5-propan-2-yloxy-2-pyridinyl)imidazolidine-2,4-dione
PubChem CID59201115
Molecular FormulaC32H31F6N3O7
Molecular Weight683.60 g/mol
Exact Mass683.21
IUPAC Name3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-hydroxyphenyl]-2-oxoethyl]-5-methyl-5-(5-propan-2-yloxy-2-pyridinyl)imidazolidine-2,4-dione
SMILESCCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccc(C(=O)CN2C(=O)NC(C)(c3ccc(OC(C)C)cn3)C2=O)c(O)c1
InChIInChI=1S/C32H31F6N3O7/c1-5-6-18-13-19(30(46,31(33,34)35)32(36,37)38)7-11-25(18)48-20-8-10-22(23(42)14-20)24(43)16-41-27(44)29(4,40-28(41)45)26-12-9-21(15-39-26)47-17(2)3/h7-15,17,42,46H,5-6,16H2,1-4H3,(H,40,45)
InChIKeyPFNIPVRYLSNESB-UHFFFAOYSA-N
XLogP6.28
TPSA138.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.60
LogP ≤ 56.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-hydroxyphenyl]-2-oxoethyl]-5-methyl-5-(5-propan-2-yloxy-2-pyridinyl)imidazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-hydroxyphenyl]-2-oxoethyl]-5-methyl-5-(5-propan-2-yloxy-2-pyridinyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-hydroxyphenyl]-2-oxoethyl]-5-methyl-5-(5-propan-2-yloxy-2-pyridinyl)imidazolidine-2,4-dione (CID 59201115) is 3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-hydroxyphenyl]-2-oxoethyl]-5-methyl-5-(5-propan-2-yloxy-2-pyridinyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-hydroxyphenyl]-2-oxoethyl]-5-methyl-5-(5-propan-2-yloxy-2-pyridinyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-hydroxyphenyl]-2-oxoethyl]-5-methyl-5-(5-propan-2-yloxy-2-pyridinyl)imidazolidine-2,4-dione is CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccc(C(=O)CN2C(=O)NC(C)(c3ccc(OC(C)C)cn3)C2=O)c(O)c1.
What is the InChIKey of 3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-hydroxyphenyl]-2-oxoethyl]-5-methyl-5-(5-propan-2-yloxy-2-pyridinyl)imidazolidine-2,4-dione?
The InChIKey is PFNIPVRYLSNESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31F6N3O7/c1-5-6-18-13-19(30(46,31(33,34)35)32(36,37)38)7-11-25(18)48-20-8-10-22(23(42)14-20)24(43)16-41-27(44)29(4,40-28(41)45)26-12-9-21(15-39-26)47-17(2)3/h7-15,17,42,46H,5-6,16H2,1-4H3,(H,40,45).
What are the key properties of 3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-hydroxyphenyl]-2-oxoethyl]-5-methyl-5-(5-propan-2-yloxy-2-pyridinyl)imidazolidine-2,4-dione?
3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-hydroxyphenyl]-2-oxoethyl]-5-methyl-5-(5-propan-2-yloxy-2-pyridinyl)imidazolidine-2,4-dione has a molecular weight of 683.60 g/mol, XLogP of 6.28, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-hydroxyphenyl]-2-oxoethyl]-5-methyl-5-(5-propan-2-yloxy-2-pyridinyl)imidazolidine-2,4-dione is sourced from PubChem (CID 59201115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).