1-ethyl-3-(2-hydroxybutyl)imidazol-2-one

C9H16N2O2 — CID 80581301

IUPAC1-ethyl-3-(2-hydroxybutyl)imidazol-2-one
SMILESCCC(O)Cn1ccn(CC)c1=O
InChIInChI=1S/C9H16N2O2/c1-3-8(12)7-11-6-5-10(4-2)9(11)13/h5-6,8,12H,3-4,7H2,1-2H3
InChIKeyIFZBKPPJNWORGH-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.44
Rot. Bonds4

About 1-ethyl-3-(2-hydroxybutyl)imidazol-2-one

1-ethyl-3-(2-hydroxybutyl)imidazol-2-one (PubChem CID 80581301) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-ethyl-3-(2-hydroxybutyl)imidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-(2-hydroxybutyl)imidazol-2-one
PubChem CID80581301
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-ethyl-3-(2-hydroxybutyl)imidazol-2-one
SMILESCCC(O)Cn1ccn(CC)c1=O
InChIInChI=1S/C9H16N2O2/c1-3-8(12)7-11-6-5-10(4-2)9(11)13/h5-6,8,12H,3-4,7H2,1-2H3
InChIKeyIFZBKPPJNWORGH-UHFFFAOYSA-N
XLogP0.44
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluoro-2-hydroxypropyl)-3-methyl-2,3-dihydro-1H-imidazol-2-one
CID 165595262
1-ethyl-3-(3-fluoro-2-hydroxypropyl)-2,3-dihydro-1H-imidazol-2-one
CID 165595567
1-(3-fluoro-2-hydroxypropyl)-3-(propan-2-yl)-2,3-dihydro-1H-imidazol-2-one
CID 165595894
1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol
CID 58841196
1-(3-methyl-2H-imidazol-1-yl)butan-2-ol
CID 67438474
4-(3-methyl-2H-imidazol-1-yl)butan-1-ol;1-(3-methyl-2H-imidazol-1-yl)propan-2-ol
CID 68280041
1-[3-(2-hydroxypropyl)-2H-imidazol-1-yl]propan-2-ol
CID 69236129
1-(3-butyl-2H-imidazol-1-yl)propan-2-ol
CID 69731321
3-(2-hydroxypropyl)-1H-imidazol-2-one
CID 84013465
1-[Ethenyl-[[ethenyl(2-hydroxybutyl)amino]methyl]amino]butan-2-ol
CID 88441002
1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol;propane
CID 91360717
5-hydroxy-3-(2-hydroxybutyl)-1H-imidazol-2-one
CID 91456565

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-hydroxybutyl)imidazol-2-one?
The IUPAC name of 1-ethyl-3-(2-hydroxybutyl)imidazol-2-one (CID 80581301) is 1-ethyl-3-(2-hydroxybutyl)imidazol-2-one.
What is the SMILES notation for 1-ethyl-3-(2-hydroxybutyl)imidazol-2-one?
The canonical SMILES for 1-ethyl-3-(2-hydroxybutyl)imidazol-2-one is CCC(O)Cn1ccn(CC)c1=O.
What is the InChIKey of 1-ethyl-3-(2-hydroxybutyl)imidazol-2-one?
The InChIKey is IFZBKPPJNWORGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-8(12)7-11-6-5-10(4-2)9(11)13/h5-6,8,12H,3-4,7H2,1-2H3.
What are the key properties of 1-ethyl-3-(2-hydroxybutyl)imidazol-2-one?
1-ethyl-3-(2-hydroxybutyl)imidazol-2-one has a molecular weight of 184.24 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-hydroxybutyl)imidazol-2-one is sourced from PubChem (CID 80581301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).