4-methyl-1,3-bis[2-[2-(trifluoromethoxy)propoxy]ethyl]imidazolidin-2-one

C16H26F6N2O5 — CID 139925762

IUPAC4-methyl-1,3-bis[2-[2-(trifluoromethoxy)propoxy]ethyl]imidazolidin-2-one
SMILESCC(COCCN1CC(C)N(CCOCC(C)OC(F)(F)F)C1=O)OC(F)(F)F
InChIInChI=1S/C16H26F6N2O5/c1-11-8-23(4-6-26-9-12(2)28-15(17,18)19)14(25)24(11)5-7-27-10-13(3)29-16(20,21)22/h11-13H,4-10H2,1-3H3
InChIKeySOBSMKCWQZDVNY-UHFFFAOYSA-N
MW440.38 g/mol
LogP3.00
Rot. Bonds12

About 4-methyl-1,3-bis[2-[2-(trifluoromethoxy)propoxy]ethyl]imidazolidin-2-one

4-methyl-1,3-bis[2-[2-(trifluoromethoxy)propoxy]ethyl]imidazolidin-2-one (PubChem CID 139925762) has the molecular formula C16H26F6N2O5 and a molecular weight of 440.38 g/mol. Its IUPAC name is 4-methyl-1,3-bis[2-[2-(trifluoromethoxy)propoxy]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name4-methyl-1,3-bis[2-[2-(trifluoromethoxy)propoxy]ethyl]imidazolidin-2-one
PubChem CID139925762
Molecular FormulaC16H26F6N2O5
Molecular Weight440.38 g/mol
Exact Mass440.17
IUPAC Name4-methyl-1,3-bis[2-[2-(trifluoromethoxy)propoxy]ethyl]imidazolidin-2-one
SMILESCC(COCCN1CC(C)N(CCOCC(C)OC(F)(F)F)C1=O)OC(F)(F)F
InChIInChI=1S/C16H26F6N2O5/c1-11-8-23(4-6-26-9-12(2)28-15(17,18)19)14(25)24(11)5-7-27-10-13(3)29-16(20,21)22/h11-13H,4-10H2,1-3H3
InChIKeySOBSMKCWQZDVNY-UHFFFAOYSA-N
XLogP3.00
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.38
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-1,3-bis(2-methoxyethyl)imidazolidin-2-one
CID 139925717
1-(3-aminobutyl)-3,4-dimethylimidazolidin-2-one
CID 116981578
5-butan-2-yl-2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one
CID 83264986
1,4-dimethyl-3-[(E)-5,5,5-trifluoro-4-methylpent-2-enyl]imidazolidin-2-one
CID 143112859
5-methyl-6-[2-(3-methylbutoxy)ethyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83251969
3,3,7-trimethyl-1-[2-(3-methylbutoxy)ethyl]-1,4-diazepane-2,5-dione
CID 64884577
1,3,4,6-tetrakis(2-ethoxyethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
CID 25027466
4,5-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one
CID 139925724
(4R)-1-ethyl-3,4-dimethylimidazolidin-2-one
CID 178098960
(7aS)-2-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 99858231
3-ethyl-7-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diazepane-2,5-dione
CID 64882463
3-butan-2-yl-7-methyl-1-(2-propoxyethyl)-1,4-diazepane-2,5-dione
CID 106459146

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-bis[2-[2-(trifluoromethoxy)propoxy]ethyl]imidazolidin-2-one?
The IUPAC name of 4-methyl-1,3-bis[2-[2-(trifluoromethoxy)propoxy]ethyl]imidazolidin-2-one (CID 139925762) is 4-methyl-1,3-bis[2-[2-(trifluoromethoxy)propoxy]ethyl]imidazolidin-2-one.
What is the SMILES notation for 4-methyl-1,3-bis[2-[2-(trifluoromethoxy)propoxy]ethyl]imidazolidin-2-one?
The canonical SMILES for 4-methyl-1,3-bis[2-[2-(trifluoromethoxy)propoxy]ethyl]imidazolidin-2-one is CC(COCCN1CC(C)N(CCOCC(C)OC(F)(F)F)C1=O)OC(F)(F)F.
What is the InChIKey of 4-methyl-1,3-bis[2-[2-(trifluoromethoxy)propoxy]ethyl]imidazolidin-2-one?
The InChIKey is SOBSMKCWQZDVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F6N2O5/c1-11-8-23(4-6-26-9-12(2)28-15(17,18)19)14(25)24(11)5-7-27-10-13(3)29-16(20,21)22/h11-13H,4-10H2,1-3H3.
What are the key properties of 4-methyl-1,3-bis[2-[2-(trifluoromethoxy)propoxy]ethyl]imidazolidin-2-one?
4-methyl-1,3-bis[2-[2-(trifluoromethoxy)propoxy]ethyl]imidazolidin-2-one has a molecular weight of 440.38 g/mol, XLogP of 3.00, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-bis[2-[2-(trifluoromethoxy)propoxy]ethyl]imidazolidin-2-one is sourced from PubChem (CID 139925762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).