1-(3-hydroxybutan-2-yl)-3-propan-2-ylimidazol-2-one

C10H18N2O2 — CID 80582025

IUPAC1-(3-hydroxybutan-2-yl)-3-propan-2-ylimidazol-2-one
SMILESCC(O)C(C)n1ccn(C(C)C)c1=O
InChIInChI=1S/C10H18N2O2/c1-7(2)11-5-6-12(10(11)14)8(3)9(4)13/h5-9,13H,1-4H3
InChIKeyLGJALBOUASVJOF-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.17
Rot. Bonds3

About 1-(3-hydroxybutan-2-yl)-3-propan-2-ylimidazol-2-one

1-(3-hydroxybutan-2-yl)-3-propan-2-ylimidazol-2-one (PubChem CID 80582025) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-(3-hydroxybutan-2-yl)-3-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name1-(3-hydroxybutan-2-yl)-3-propan-2-ylimidazol-2-one
PubChem CID80582025
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-(3-hydroxybutan-2-yl)-3-propan-2-ylimidazol-2-one
SMILESCC(O)C(C)n1ccn(C(C)C)c1=O
InChIInChI=1S/C10H18N2O2/c1-7(2)11-5-6-12(10(11)14)8(3)9(4)13/h5-9,13H,1-4H3
InChIKeyLGJALBOUASVJOF-UHFFFAOYSA-N
XLogP1.17
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-hydroxybutan-2-yl)-3-propan-2-ylimidazol-2-one 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-(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-cyclopropyl-3-(3-fluoro-2-hydroxypropyl)-2,3-dihydro-1H-imidazol-2-one
CID 165600794
1-[3-(2-hydroxypropyl)-2H-imidazol-1-yl]propan-2-ol
CID 69236129
4-Hydroxy-3-(2-hydroxyethyl)-1-propan-2-ylimidazol-2-one
CID 91091137
3-(2-hydroxypentan-3-yl)-1H-imidazol-2-one
CID 131162675
1-[(2R,3S)-2-hydroxypentan-3-yl]-3-methylimidazol-2-one
CID 137411210
1-(2-Hydroxyethyl)-3-propan-2-ylimidazol-2-one
CID 80581216
1-(4-Hydroxybutyl)-3-propan-2-ylimidazol-2-one
CID 80581217
1-Ethyl-3-(2-hydroxypropyl)imidazol-2-one
CID 80581237
1-Ethyl-3-(3-hydroxybutan-2-yl)imidazol-2-one
CID 80581257

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxybutan-2-yl)-3-propan-2-ylimidazol-2-one?
The IUPAC name of 1-(3-hydroxybutan-2-yl)-3-propan-2-ylimidazol-2-one (CID 80582025) is 1-(3-hydroxybutan-2-yl)-3-propan-2-ylimidazol-2-one.
What is the SMILES notation for 1-(3-hydroxybutan-2-yl)-3-propan-2-ylimidazol-2-one?
The canonical SMILES for 1-(3-hydroxybutan-2-yl)-3-propan-2-ylimidazol-2-one is CC(O)C(C)n1ccn(C(C)C)c1=O.
What is the InChIKey of 1-(3-hydroxybutan-2-yl)-3-propan-2-ylimidazol-2-one?
The InChIKey is LGJALBOUASVJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-7(2)11-5-6-12(10(11)14)8(3)9(4)13/h5-9,13H,1-4H3.
What are the key properties of 1-(3-hydroxybutan-2-yl)-3-propan-2-ylimidazol-2-one?
1-(3-hydroxybutan-2-yl)-3-propan-2-ylimidazol-2-one has a molecular weight of 198.27 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxybutan-2-yl)-3-propan-2-ylimidazol-2-one is sourced from PubChem (CID 80582025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).