3-[4-[[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-propyl-2,3-dihydro-1H-inden-4-yl]oxy]butyl]-5-methyl-5-(2-propan-2-yloxyphenyl)imidazolidine-2,4-dione

C32H38F6N2O5 — CID 87123293

IUPAC3-[4-[[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-propyl-2,3-dihydro-1H-inden-4-yl]oxy]butyl]-5-methyl-5-(2-propan-2-yloxyphenyl)imidazolidine-2,4-dione
SMILESCCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)c2c(c1OCCCCN1C(=O)NC(C)(c3ccccc3OC(C)C)C1=O)CCC2
InChIInChI=1S/C32H38F6N2O5/c1-5-11-20-18-24(30(43,31(33,34)35)32(36,37)38)21-12-10-13-22(21)26(20)44-17-9-8-16-40-27(41)29(4,39-28(40)42)23-14-6-7-15-25(23)45-19(2)3/h6-7,14-15,18-19,43H,5,8-13,16-17H2,1-4H3,(H,39,42)
InChIKeyLBKCRYDJXQXVEJ-UHFFFAOYSA-N
MW644.65 g/mol
LogP6.85
Rot. Bonds12

About 3-[4-[[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-propyl-2,3-dihydro-1H-inden-4-yl]oxy]butyl]-5-methyl-5-(2-propan-2-yloxyphenyl)imidazolidine-2,4-dione

3-[4-[[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-propyl-2,3-dihydro-1H-inden-4-yl]oxy]butyl]-5-methyl-5-(2-propan-2-yloxyphenyl)imidazolidine-2,4-dione (PubChem CID 87123293) has the molecular formula C32H38F6N2O5 and a molecular weight of 644.65 g/mol. Its IUPAC name is 3-[4-[[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-propyl-2,3-dihydro-1H-inden-4-yl]oxy]butyl]-5-methyl-5-(2-propan-2-yloxyphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[4-[[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-propyl-2,3-dihydro-1H-inden-4-yl]oxy]butyl]-5-methyl-5-(2-propan-2-yloxyphenyl)imidazolidine-2,4-dione
PubChem CID87123293
Molecular FormulaC32H38F6N2O5
Molecular Weight644.65 g/mol
Exact Mass644.27
IUPAC Name3-[4-[[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-propyl-2,3-dihydro-1H-inden-4-yl]oxy]butyl]-5-methyl-5-(2-propan-2-yloxyphenyl)imidazolidine-2,4-dione
SMILESCCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)c2c(c1OCCCCN1C(=O)NC(C)(c3ccccc3OC(C)C)C1=O)CCC2
InChIInChI=1S/C32H38F6N2O5/c1-5-11-20-18-24(30(43,31(33,34)35)32(36,37)38)21-12-10-13-22(21)26(20)44-17-9-8-16-40-27(41)29(4,39-28(40)42)23-14-6-7-15-25(23)45-19(2)3/h6-7,14-15,18-19,43H,5,8-13,16-17H2,1-4H3,(H,39,42)
InChIKeyLBKCRYDJXQXVEJ-UHFFFAOYSA-N
XLogP6.85
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.65
LogP ≤ 56.85
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-[[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-propyl-2,3-dihydro-1H-inden-4-yl]oxy]butyl]-5-methyl-5-(2-propan-2-yloxyphenyl)imidazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-propyl-2,3-dihydro-1H-inden-4-yl]oxy]butyl]-5-methyl-5-(2-propan-2-yloxyphenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[4-[[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-propyl-2,3-dihydro-1H-inden-4-yl]oxy]butyl]-5-methyl-5-(2-propan-2-yloxyphenyl)imidazolidine-2,4-dione (CID 87123293) is 3-[4-[[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-propyl-2,3-dihydro-1H-inden-4-yl]oxy]butyl]-5-methyl-5-(2-propan-2-yloxyphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[4-[[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-propyl-2,3-dihydro-1H-inden-4-yl]oxy]butyl]-5-methyl-5-(2-propan-2-yloxyphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[4-[[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-propyl-2,3-dihydro-1H-inden-4-yl]oxy]butyl]-5-methyl-5-(2-propan-2-yloxyphenyl)imidazolidine-2,4-dione is CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)c2c(c1OCCCCN1C(=O)NC(C)(c3ccccc3OC(C)C)C1=O)CCC2.
What is the InChIKey of 3-[4-[[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-propyl-2,3-dihydro-1H-inden-4-yl]oxy]butyl]-5-methyl-5-(2-propan-2-yloxyphenyl)imidazolidine-2,4-dione?
The InChIKey is LBKCRYDJXQXVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38F6N2O5/c1-5-11-20-18-24(30(43,31(33,34)35)32(36,37)38)21-12-10-13-22(21)26(20)44-17-9-8-16-40-27(41)29(4,39-28(40)42)23-14-6-7-15-25(23)45-19(2)3/h6-7,14-15,18-19,43H,5,8-13,16-17H2,1-4H3,(H,39,42).
What are the key properties of 3-[4-[[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-propyl-2,3-dihydro-1H-inden-4-yl]oxy]butyl]-5-methyl-5-(2-propan-2-yloxyphenyl)imidazolidine-2,4-dione?
3-[4-[[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-propyl-2,3-dihydro-1H-inden-4-yl]oxy]butyl]-5-methyl-5-(2-propan-2-yloxyphenyl)imidazolidine-2,4-dione has a molecular weight of 644.65 g/mol, XLogP of 6.85, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-propyl-2,3-dihydro-1H-inden-4-yl]oxy]butyl]-5-methyl-5-(2-propan-2-yloxyphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 87123293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).