5-hexyl-1,3-bis(2-hydroxyethyl)-5-methylimidazolidine-2,4-dione

C14H26N2O4 — CID 21324143

IUPAC5-hexyl-1,3-bis(2-hydroxyethyl)-5-methylimidazolidine-2,4-dione
SMILESCCCCCCC1(C)C(=O)N(CCO)C(=O)N1CCO
InChIInChI=1S/C14H26N2O4/c1-3-4-5-6-7-14(2)12(19)15(8-10-17)13(20)16(14)9-11-18/h17-18H,3-11H2,1-2H3
InChIKeyUVPPVRBYVKTAIW-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.96
Rot. Bonds9

About 5-hexyl-1,3-bis(2-hydroxyethyl)-5-methylimidazolidine-2,4-dione

5-hexyl-1,3-bis(2-hydroxyethyl)-5-methylimidazolidine-2,4-dione (PubChem CID 21324143) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 5-hexyl-1,3-bis(2-hydroxyethyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-hexyl-1,3-bis(2-hydroxyethyl)-5-methylimidazolidine-2,4-dione
PubChem CID21324143
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name5-hexyl-1,3-bis(2-hydroxyethyl)-5-methylimidazolidine-2,4-dione
SMILESCCCCCCC1(C)C(=O)N(CCO)C(=O)N1CCO
InChIInChI=1S/C14H26N2O4/c1-3-4-5-6-7-14(2)12(19)15(8-10-17)13(20)16(14)9-11-18/h17-18H,3-11H2,1-2H3
InChIKeyUVPPVRBYVKTAIW-UHFFFAOYSA-N
XLogP0.96
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-ethyl-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione
CID 87234060
1,3-bis(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione;bis(3-sulfanylpropanoic acid)
CID 22754387
(3R)-3-methyl-3-pentadecyloxiran-2-one
CID 140973350
4-hydroxy-3,3,5,5-tetra(nonyl)-1-octylpiperazine-2,6-dione
CID 163625566
(3S)-3-methyl-3-pentyloxiran-2-one
CID 140973351
1,3-diheptyl-1,3-diazetidine-2,4-dione
CID 18730690
5-ethyl-1,3-bis(2-hydroxy-3-octadecylsulfanylpropyl)-5-methylimidazolidine-2,4-dione
CID 21487385
6-octyl-1,3,5-triazatricyclo[3.1.1.03,6]heptane-2,4,7-trione
CID 140750328
4-amino-5-heptyl-1-(2-methoxyethyl)-5-methylimidazol-2-one
CID 79968331
1,3-dichloro-5,5-dihexylimidazolidine-2,4-dione
CID 54561396
5-dodecyl-5-hydroxy-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 101170696
1-dodecyl-3,3-dimethyl-4-methylideneazetidin-2-one
CID 102412122

Frequently Asked Questions

What is the IUPAC name of 5-hexyl-1,3-bis(2-hydroxyethyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-hexyl-1,3-bis(2-hydroxyethyl)-5-methylimidazolidine-2,4-dione (CID 21324143) is 5-hexyl-1,3-bis(2-hydroxyethyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-hexyl-1,3-bis(2-hydroxyethyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-hexyl-1,3-bis(2-hydroxyethyl)-5-methylimidazolidine-2,4-dione is CCCCCCC1(C)C(=O)N(CCO)C(=O)N1CCO.
What is the InChIKey of 5-hexyl-1,3-bis(2-hydroxyethyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is UVPPVRBYVKTAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-3-4-5-6-7-14(2)12(19)15(8-10-17)13(20)16(14)9-11-18/h17-18H,3-11H2,1-2H3.
What are the key properties of 5-hexyl-1,3-bis(2-hydroxyethyl)-5-methylimidazolidine-2,4-dione?
5-hexyl-1,3-bis(2-hydroxyethyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 286.37 g/mol, XLogP of 0.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-1,3-bis(2-hydroxyethyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 21324143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).