1-(3-ethyl-5-hydroxy-2-oxoimidazol-1-yl)-3,3,12,12-tetramethylhexadecane-6,9-dione

C25H44N2O4 — CID 90932327

IUPAC1-(3-ethyl-5-hydroxy-2-oxoimidazol-1-yl)-3,3,12,12-tetramethylhexadecane-6,9-dione
SMILESCCCCC(C)(C)CCC(=O)CCC(=O)CCC(C)(C)CCn1c(O)cn(CC)c1=O
InChIInChI=1S/C25H44N2O4/c1-7-9-14-24(3,4)15-12-20(28)10-11-21(29)13-16-25(5,6)17-18-27-22(30)19-26(8-2)23(27)31/h19,30H,7-18H2,1-6H3
InChIKeyGOYSKZGNDHURHX-UHFFFAOYSA-N
MW436.64 g/mol
LogP5.49
Rot. Bonds16

About 1-(3-ethyl-5-hydroxy-2-oxoimidazol-1-yl)-3,3,12,12-tetramethylhexadecane-6,9-dione

1-(3-ethyl-5-hydroxy-2-oxoimidazol-1-yl)-3,3,12,12-tetramethylhexadecane-6,9-dione (PubChem CID 90932327) has the molecular formula C25H44N2O4 and a molecular weight of 436.64 g/mol. Its IUPAC name is 1-(3-ethyl-5-hydroxy-2-oxoimidazol-1-yl)-3,3,12,12-tetramethylhexadecane-6,9-dione.

Molecular Properties

Compound Name1-(3-ethyl-5-hydroxy-2-oxoimidazol-1-yl)-3,3,12,12-tetramethylhexadecane-6,9-dione
PubChem CID90932327
Molecular FormulaC25H44N2O4
Molecular Weight436.64 g/mol
Exact Mass436.33
IUPAC Name1-(3-ethyl-5-hydroxy-2-oxoimidazol-1-yl)-3,3,12,12-tetramethylhexadecane-6,9-dione
SMILESCCCCC(C)(C)CCC(=O)CCC(=O)CCC(C)(C)CCn1c(O)cn(CC)c1=O
InChIInChI=1S/C25H44N2O4/c1-7-9-14-24(3,4)15-12-20(28)10-11-21(29)13-16-25(5,6)17-18-27-22(30)19-26(8-2)23(27)31/h19,30H,7-18H2,1-6H3
InChIKeyGOYSKZGNDHURHX-UHFFFAOYSA-N
XLogP5.49
TPSA81.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.64
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(3-ethyl-5-hydroxy-2-oxoimidazol-1-yl)-3,3,12,12-tetramethylhexadecane-6,9-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-4-hydroxy-3-[9-(1-hydroxy-5,5-dimethyldecoxy)-5,5-dimethylnonyl]imidazol-2-one
CID 91581682
1-ethyl-4-hydroxy-3-[8-(10-hydroxy-5,5-dimethyldecoxy)-4,4-dimethyloctyl]imidazol-2-one
CID 54283727
1-(3-ethyl-5-hydroxy-2-oxoimidazol-1-yl)-15-(3-ethyl-5-sulfanyl-2-sulfanylideneimidazol-1-yl)-2,2,14,14-tetramethylpentadecane-6,10-dione
CID 90971801
3-dodecyl-4-hydroxy-1-methylimidazol-2-one
CID 91073512
1-ethyl-3-[5-[3-[5-(3-ethyl-5-sulfanyl-2-sulfanylideneimidazol-1-yl)-4,4-dimethylpentyl]sulfanylpropylsulfanyl]-2,2-dimethylpentyl]-4-hydroxyimidazol-2-one
CID 90969532
2,14-bis(3-ethyl-5-hydroxy-2-sulfanylideneimidazol-1-yl)-2,14-dimethylpentadecane-6,10-dione
CID 91085390
1,3-bis[(didodecylamino)methyl]-4-hydroxyimidazol-2-one
CID 54036253
6-[7-(3-ethenyl-5-hydroxy-2-oxoimidazol-1-yl)-5,5-dimethylheptoxy]-2,2-dimethylhexanoic acid
CID 91373870
10-amino-8,8-dimethyldecan-5-one
CID 116574751
1-(6-amino-5,5-dimethylhexyl)-3-propylimidazol-2-one
CID 106708444
2,2-dimethyldodecane-5,8-dione
CID 13333855
5-amino-1-ethyl-3-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione
CID 64553758

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-5-hydroxy-2-oxoimidazol-1-yl)-3,3,12,12-tetramethylhexadecane-6,9-dione?
The IUPAC name of 1-(3-ethyl-5-hydroxy-2-oxoimidazol-1-yl)-3,3,12,12-tetramethylhexadecane-6,9-dione (CID 90932327) is 1-(3-ethyl-5-hydroxy-2-oxoimidazol-1-yl)-3,3,12,12-tetramethylhexadecane-6,9-dione.
What is the SMILES notation for 1-(3-ethyl-5-hydroxy-2-oxoimidazol-1-yl)-3,3,12,12-tetramethylhexadecane-6,9-dione?
The canonical SMILES for 1-(3-ethyl-5-hydroxy-2-oxoimidazol-1-yl)-3,3,12,12-tetramethylhexadecane-6,9-dione is CCCCC(C)(C)CCC(=O)CCC(=O)CCC(C)(C)CCn1c(O)cn(CC)c1=O.
What is the InChIKey of 1-(3-ethyl-5-hydroxy-2-oxoimidazol-1-yl)-3,3,12,12-tetramethylhexadecane-6,9-dione?
The InChIKey is GOYSKZGNDHURHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44N2O4/c1-7-9-14-24(3,4)15-12-20(28)10-11-21(29)13-16-25(5,6)17-18-27-22(30)19-26(8-2)23(27)31/h19,30H,7-18H2,1-6H3.
What are the key properties of 1-(3-ethyl-5-hydroxy-2-oxoimidazol-1-yl)-3,3,12,12-tetramethylhexadecane-6,9-dione?
1-(3-ethyl-5-hydroxy-2-oxoimidazol-1-yl)-3,3,12,12-tetramethylhexadecane-6,9-dione has a molecular weight of 436.64 g/mol, XLogP of 5.49, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-5-hydroxy-2-oxoimidazol-1-yl)-3,3,12,12-tetramethylhexadecane-6,9-dione is sourced from PubChem (CID 90932327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).