5-butyl-3-(2-ethylbutyl)-1H-imidazol-2-one

C13H24N2O — CID 18384398

IUPAC5-butyl-3-(2-ethylbutyl)-1H-imidazol-2-one
SMILESCCCCc1cn(CC(CC)CC)c(=O)[nH]1
InChIInChI=1S/C13H24N2O/c1-4-7-8-12-10-15(13(16)14-12)9-11(5-2)6-3/h10-11H,4-9H2,1-3H3,(H,14,16)
InChIKeyFMGYCOTVDCTUOA-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.96
Rot. Bonds7

About 5-butyl-3-(2-ethylbutyl)-1H-imidazol-2-one

5-butyl-3-(2-ethylbutyl)-1H-imidazol-2-one (PubChem CID 18384398) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 5-butyl-3-(2-ethylbutyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name5-butyl-3-(2-ethylbutyl)-1H-imidazol-2-one
PubChem CID18384398
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name5-butyl-3-(2-ethylbutyl)-1H-imidazol-2-one
SMILESCCCCc1cn(CC(CC)CC)c(=O)[nH]1
InChIInChI=1S/C13H24N2O/c1-4-7-8-12-10-15(13(16)14-12)9-11(5-2)6-3/h10-11H,4-9H2,1-3H3,(H,14,16)
InChIKeyFMGYCOTVDCTUOA-UHFFFAOYSA-N
XLogP2.96
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-(2-ethylbutyl)-1H-imidazol-2-one?
The IUPAC name of 5-butyl-3-(2-ethylbutyl)-1H-imidazol-2-one (CID 18384398) is 5-butyl-3-(2-ethylbutyl)-1H-imidazol-2-one.
What is the SMILES notation for 5-butyl-3-(2-ethylbutyl)-1H-imidazol-2-one?
The canonical SMILES for 5-butyl-3-(2-ethylbutyl)-1H-imidazol-2-one is CCCCc1cn(CC(CC)CC)c(=O)[nH]1.
What is the InChIKey of 5-butyl-3-(2-ethylbutyl)-1H-imidazol-2-one?
The InChIKey is FMGYCOTVDCTUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-4-7-8-12-10-15(13(16)14-12)9-11(5-2)6-3/h10-11H,4-9H2,1-3H3,(H,14,16).
What are the key properties of 5-butyl-3-(2-ethylbutyl)-1H-imidazol-2-one?
5-butyl-3-(2-ethylbutyl)-1H-imidazol-2-one has a molecular weight of 224.35 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-(2-ethylbutyl)-1H-imidazol-2-one is sourced from PubChem (CID 18384398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).