4,5-diethyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-bis(2-methoxybutyl)imidazolidin-2-one

C20H34F6N2O3 — CID 139925693

IUPAC4,5-diethyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-bis(2-methoxybutyl)imidazolidin-2-one
SMILESCCC(CN1C(=O)N(CC(CC)OC)C(CC)(C(C(F)(F)F)C(F)(F)F)C1CC)OC
InChIInChI=1S/C20H34F6N2O3/c1-7-13(30-5)11-27-15(9-3)18(10-4,16(19(21,22)23)20(24,25)26)28(17(27)29)12-14(8-2)31-6/h13-16H,7-12H2,1-6H3
InChIKeyLYJIPXUFQCRVJA-UHFFFAOYSA-N
MW464.49 g/mol
LogP5.24
Rot. Bonds11

About 4,5-diethyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-bis(2-methoxybutyl)imidazolidin-2-one

4,5-diethyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-bis(2-methoxybutyl)imidazolidin-2-one (PubChem CID 139925693) has the molecular formula C20H34F6N2O3 and a molecular weight of 464.49 g/mol. Its IUPAC name is 4,5-diethyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-bis(2-methoxybutyl)imidazolidin-2-one.

Molecular Properties

Compound Name4,5-diethyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-bis(2-methoxybutyl)imidazolidin-2-one
PubChem CID139925693
Molecular FormulaC20H34F6N2O3
Molecular Weight464.49 g/mol
Exact Mass464.25
IUPAC Name4,5-diethyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-bis(2-methoxybutyl)imidazolidin-2-one
SMILESCCC(CN1C(=O)N(CC(CC)OC)C(CC)(C(C(F)(F)F)C(F)(F)F)C1CC)OC
InChIInChI=1S/C20H34F6N2O3/c1-7-13(30-5)11-27-15(9-3)18(10-4,16(19(21,22)23)20(24,25)26)28(17(27)29)12-14(8-2)31-6/h13-16H,7-12H2,1-6H3
InChIKeyLYJIPXUFQCRVJA-UHFFFAOYSA-N
XLogP5.24
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.49
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,5-diethyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-bis(2-methoxybutyl)imidazolidin-2-one with MolForge

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Related Compounds

1-(2-Ethyl-2-methoxybutyl)-3-(2-methoxyethyl)-4-(trifluoromethyl)imidazolidin-2-one
CID 139925602
1,3-Bis(1-fluoro-2-methoxyethyl)-4,5-di(propan-2-yl)imidazolidin-2-one
CID 139925617
1,3-Bis(1-fluoro-2-methoxyethyl)-4,4-di(propan-2-yl)imidazolidin-2-one
CID 139925632
4,4-Difluoro-3-(4-methoxyhexan-3-yl)-1-(2-methoxy-4-methylpentan-3-yl)imidazolidin-2-one
CID 139925638
1-(2-Methoxy-2,3-dimethylbutyl)-3-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)imidazolidin-2-one
CID 139925676
4,4-Diethyl-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one
CID 139925679
1,3-Bis(1-fluoro-2-methoxyethyl)-4,4,5,5-tetrapropylimidazolidin-2-one
CID 139925682
1,3-Bis(1-fluoro-2-methoxyethyl)-4,4,5-tris(1,1,1-trifluoropropan-2-yl)imidazolidin-2-one
CID 139925686
1,3-Bis(1-fluoro-2-methoxyethyl)-4,4,5-tripropylimidazolidin-2-one
CID 139925690
1,3-Bis(2-methoxypropyl)-4,4,5-tris(1,1,2,2,2-pentafluoroethyl)imidazolidin-2-one
CID 139925698
4-Ethyl-4,5,5-trimethyl-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one
CID 139925705
1,3-Bis(1-fluoro-2-methoxyethyl)-4,4,5,5-tetra(propan-2-yl)imidazolidin-2-one
CID 139925736

Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-bis(2-methoxybutyl)imidazolidin-2-one?
The IUPAC name of 4,5-diethyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-bis(2-methoxybutyl)imidazolidin-2-one (CID 139925693) is 4,5-diethyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-bis(2-methoxybutyl)imidazolidin-2-one.
What is the SMILES notation for 4,5-diethyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-bis(2-methoxybutyl)imidazolidin-2-one?
The canonical SMILES for 4,5-diethyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-bis(2-methoxybutyl)imidazolidin-2-one is CCC(CN1C(=O)N(CC(CC)OC)C(CC)(C(C(F)(F)F)C(F)(F)F)C1CC)OC.
What is the InChIKey of 4,5-diethyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-bis(2-methoxybutyl)imidazolidin-2-one?
The InChIKey is LYJIPXUFQCRVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34F6N2O3/c1-7-13(30-5)11-27-15(9-3)18(10-4,16(19(21,22)23)20(24,25)26)28(17(27)29)12-14(8-2)31-6/h13-16H,7-12H2,1-6H3.
What are the key properties of 4,5-diethyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-bis(2-methoxybutyl)imidazolidin-2-one?
4,5-diethyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-bis(2-methoxybutyl)imidazolidin-2-one has a molecular weight of 464.49 g/mol, XLogP of 5.24, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-bis(2-methoxybutyl)imidazolidin-2-one is sourced from PubChem (CID 139925693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).