3,5-dimethyl-4-octan-2-yl-1H-imidazol-2-one;ethane;molecular hydrogen

C15H32N2O — CID 144531925

IUPAC3,5-dimethyl-4-octan-2-yl-1H-imidazol-2-one;ethane;molecular hydrogen
SMILESCC.CCCCCCC(C)c1c(C)[nH]c(=O)n1C.[H][H]
InChIInChI=1S/C13H24N2O.C2H6.H2/c1-5-6-7-8-9-10(2)12-11(3)14-13(16)15(12)4;1-2;/h10H,5-9H2,1-4H3,(H,14,16);1-2H3;1H
InChIKeyOSXMZUFQUFVJOA-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.37
Rot. Bonds6

About 3,5-dimethyl-4-octan-2-yl-1H-imidazol-2-one;ethane;molecular hydrogen

3,5-dimethyl-4-octan-2-yl-1H-imidazol-2-one;ethane;molecular hydrogen (PubChem CID 144531925) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 3,5-dimethyl-4-octan-2-yl-1H-imidazol-2-one;ethane;molecular hydrogen.

Molecular Properties

Compound Name3,5-dimethyl-4-octan-2-yl-1H-imidazol-2-one;ethane;molecular hydrogen
PubChem CID144531925
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name3,5-dimethyl-4-octan-2-yl-1H-imidazol-2-one;ethane;molecular hydrogen
SMILESCC.CCCCCCC(C)c1c(C)[nH]c(=O)n1C.[H][H]
InChIInChI=1S/C13H24N2O.C2H6.H2/c1-5-6-7-8-9-10(2)12-11(3)14-13(16)15(12)4;1-2;/h10H,5-9H2,1-4H3,(H,14,16);1-2H3;1H
InChIKeyOSXMZUFQUFVJOA-UHFFFAOYSA-N
XLogP4.37
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-4-pentan-2-yl-1H-imidazol-2-one;ethane;molecular hydrogen
CID 144531427
4-ethyl-3-methyl-5-pentan-2-yl-1H-imidazol-2-one
CID 155116176
1,4-dimethyl-6-propan-2-yl-4,5,6,7,8,9-hexahydro-3H-cycloocta[d]imidazol-2-one
CID 167041476
4-Cycloheptyl-5-methyl-1,3-dihydroimidazol-2-one
CID 105448418
4-Cycloheptyl-5-ethyl-1,3-dihydroimidazol-2-one
CID 105462240
4-Cycloheptyl-5-propan-2-yl-1,3-dihydroimidazol-2-one
CID 105479629
3,5-dimethyl-4-pentan-2-yl-1H-imidazol-2-one
CID 144531428
3,5-dimethyl-4-octan-2-yl-1H-imidazol-2-one
CID 144531926

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-octan-2-yl-1H-imidazol-2-one;ethane;molecular hydrogen?
The IUPAC name of 3,5-dimethyl-4-octan-2-yl-1H-imidazol-2-one;ethane;molecular hydrogen (CID 144531925) is 3,5-dimethyl-4-octan-2-yl-1H-imidazol-2-one;ethane;molecular hydrogen.
What is the SMILES notation for 3,5-dimethyl-4-octan-2-yl-1H-imidazol-2-one;ethane;molecular hydrogen?
The canonical SMILES for 3,5-dimethyl-4-octan-2-yl-1H-imidazol-2-one;ethane;molecular hydrogen is CC.CCCCCCC(C)c1c(C)[nH]c(=O)n1C.[H][H].
What is the InChIKey of 3,5-dimethyl-4-octan-2-yl-1H-imidazol-2-one;ethane;molecular hydrogen?
The InChIKey is OSXMZUFQUFVJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.C2H6.H2/c1-5-6-7-8-9-10(2)12-11(3)14-13(16)15(12)4;1-2;/h10H,5-9H2,1-4H3,(H,14,16);1-2H3;1H.
What are the key properties of 3,5-dimethyl-4-octan-2-yl-1H-imidazol-2-one;ethane;molecular hydrogen?
3,5-dimethyl-4-octan-2-yl-1H-imidazol-2-one;ethane;molecular hydrogen has a molecular weight of 256.43 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-octan-2-yl-1H-imidazol-2-one;ethane;molecular hydrogen is sourced from PubChem (CID 144531925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).