3-[[3-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-propyl-2-pyridinyl]oxy]phenyl]methyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione

C31H31F6N3O5 — CID 59200904

IUPAC3-[[3-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-propyl-2-pyridinyl]oxy]phenyl]methyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione
SMILESCCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)cnc1Oc1cccc(CN2C(=O)NC(C)(c3ccc(OC(C)C)cc3)C2=O)c1
InChIInChI=1S/C31H31F6N3O5/c1-5-7-20-15-22(29(43,30(32,33)34)31(35,36)37)16-38-25(20)45-24-9-6-8-19(14-24)17-40-26(41)28(4,39-27(40)42)21-10-12-23(13-11-21)44-18(2)3/h6,8-16,18,43H,5,7,17H2,1-4H3,(H,39,42)
InChIKeyYZWVLVXWRZGLTJ-UHFFFAOYSA-N
MW639.59 g/mol
LogP6.89
Rot. Bonds10

About 3-[[3-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-propyl-2-pyridinyl]oxy]phenyl]methyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione

3-[[3-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-propyl-2-pyridinyl]oxy]phenyl]methyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione (PubChem CID 59200904) has the molecular formula C31H31F6N3O5 and a molecular weight of 639.59 g/mol. Its IUPAC name is 3-[[3-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-propyl-2-pyridinyl]oxy]phenyl]methyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[3-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-propyl-2-pyridinyl]oxy]phenyl]methyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione
PubChem CID59200904
Molecular FormulaC31H31F6N3O5
Molecular Weight639.59 g/mol
Exact Mass639.22
IUPAC Name3-[[3-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-propyl-2-pyridinyl]oxy]phenyl]methyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione
SMILESCCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)cnc1Oc1cccc(CN2C(=O)NC(C)(c3ccc(OC(C)C)cc3)C2=O)c1
InChIInChI=1S/C31H31F6N3O5/c1-5-7-20-15-22(29(43,30(32,33)34)31(35,36)37)16-38-25(20)45-24-9-6-8-19(14-24)17-40-26(41)28(4,39-27(40)42)21-10-12-23(13-11-21)44-18(2)3/h6,8-16,18,43H,5,7,17H2,1-4H3,(H,39,42)
InChIKeyYZWVLVXWRZGLTJ-UHFFFAOYSA-N
XLogP6.89
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.59
LogP ≤ 56.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-propyl-2-pyridinyl]oxy]phenyl]methyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[[3-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-propyl-2-pyridinyl]oxy]phenyl]methyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione (CID 59200904) is 3-[[3-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-propyl-2-pyridinyl]oxy]phenyl]methyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[[3-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-propyl-2-pyridinyl]oxy]phenyl]methyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[[3-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-propyl-2-pyridinyl]oxy]phenyl]methyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione is CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)cnc1Oc1cccc(CN2C(=O)NC(C)(c3ccc(OC(C)C)cc3)C2=O)c1.
What is the InChIKey of 3-[[3-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-propyl-2-pyridinyl]oxy]phenyl]methyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione?
The InChIKey is YZWVLVXWRZGLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31F6N3O5/c1-5-7-20-15-22(29(43,30(32,33)34)31(35,36)37)16-38-25(20)45-24-9-6-8-19(14-24)17-40-26(41)28(4,39-27(40)42)21-10-12-23(13-11-21)44-18(2)3/h6,8-16,18,43H,5,7,17H2,1-4H3,(H,39,42).
What are the key properties of 3-[[3-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-propyl-2-pyridinyl]oxy]phenyl]methyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione?
3-[[3-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-propyl-2-pyridinyl]oxy]phenyl]methyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione has a molecular weight of 639.59 g/mol, XLogP of 6.89, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-propyl-2-pyridinyl]oxy]phenyl]methyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 59200904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).