3-(1-hydroxypropan-2-yl)-1,4-dimethylimidazol-2-one

C8H14N2O2 — CID 112545286

IUPAC3-(1-hydroxypropan-2-yl)-1,4-dimethylimidazol-2-one
SMILESCc1cn(C)c(=O)n1C(C)CO
InChIInChI=1S/C8H14N2O2/c1-6-4-9(3)8(12)10(6)7(2)5-11/h4,7,11H,5H2,1-3H3
InChIKeyINDAXMNWLVERMD-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.05
Rot. Bonds2

About 3-(1-hydroxypropan-2-yl)-1,4-dimethylimidazol-2-one

3-(1-hydroxypropan-2-yl)-1,4-dimethylimidazol-2-one (PubChem CID 112545286) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-(1-hydroxypropan-2-yl)-1,4-dimethylimidazol-2-one.

Molecular Properties

Compound Name3-(1-hydroxypropan-2-yl)-1,4-dimethylimidazol-2-one
PubChem CID112545286
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name3-(1-hydroxypropan-2-yl)-1,4-dimethylimidazol-2-one
SMILESCc1cn(C)c(=O)n1C(C)CO
InChIInChI=1S/C8H14N2O2/c1-6-4-9(3)8(12)10(6)7(2)5-11/h4,7,11H,5H2,1-3H3
InChIKeyINDAXMNWLVERMD-UHFFFAOYSA-N
XLogP0.05
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Hydroxy-3-(2-hydroxyethyl)-1-propan-2-ylimidazol-2-one
CID 91091137
1-(2-Hydroxyethyl)-3-propan-2-ylimidazol-2-one
CID 80581216
1-(3-Hydroxybutan-2-yl)-3-methylimidazol-2-one
CID 80581370
3-(2-hydroxyethyl)-4-methyl-1H-imidazol-2-one
CID 84013464
3-(1-hydroxypropan-2-yl)-4-methyl-1H-imidazol-2-one
CID 84013579
1-(1-Hydroxypropan-2-yl)-3-methylimidazol-2-one
CID 84013580
1-(2-Hydroxyethyl)-3,4,5-trimethylimidazol-2-one
CID 84013763
1-(1-Hydroxypropan-2-yl)-3,4,5-trimethylimidazol-2-one
CID 84014136
1-(1-Hydroxypropan-2-yl)-3-propan-2-ylimidazol-2-one
CID 84014138
3-(2-Hydroxypropyl)-1,4-dimethylimidazol-2-one
CID 112545285
4-(Hydroxymethyl)-1,3-dimethyl-2,3-dihydro-1H-imidazol-2-one
CID 124707036
1-Ethyl-4-(hydroxymethyl)-3-methyl-2,3-dihydro-1H-imidazol-2-one
CID 125457192

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxypropan-2-yl)-1,4-dimethylimidazol-2-one?
The IUPAC name of 3-(1-hydroxypropan-2-yl)-1,4-dimethylimidazol-2-one (CID 112545286) is 3-(1-hydroxypropan-2-yl)-1,4-dimethylimidazol-2-one.
What is the SMILES notation for 3-(1-hydroxypropan-2-yl)-1,4-dimethylimidazol-2-one?
The canonical SMILES for 3-(1-hydroxypropan-2-yl)-1,4-dimethylimidazol-2-one is Cc1cn(C)c(=O)n1C(C)CO.
What is the InChIKey of 3-(1-hydroxypropan-2-yl)-1,4-dimethylimidazol-2-one?
The InChIKey is INDAXMNWLVERMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-6-4-9(3)8(12)10(6)7(2)5-11/h4,7,11H,5H2,1-3H3.
What are the key properties of 3-(1-hydroxypropan-2-yl)-1,4-dimethylimidazol-2-one?
3-(1-hydroxypropan-2-yl)-1,4-dimethylimidazol-2-one has a molecular weight of 170.21 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxypropan-2-yl)-1,4-dimethylimidazol-2-one is sourced from PubChem (CID 112545286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).