1-(3-hydroxybutan-2-yl)-3-methylimidazol-2-one

C8H14N2O2 — CID 80581370

IUPAC1-(3-hydroxybutan-2-yl)-3-methylimidazol-2-one
SMILESCC(O)C(C)n1ccn(C)c1=O
InChIInChI=1S/C8H14N2O2/c1-6(7(2)11)10-5-4-9(3)8(10)12/h4-7,11H,1-3H3
InChIKeyWPXZHUJTTXAZRJ-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.13
Rot. Bonds2

About 1-(3-hydroxybutan-2-yl)-3-methylimidazol-2-one

1-(3-hydroxybutan-2-yl)-3-methylimidazol-2-one (PubChem CID 80581370) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-(3-hydroxybutan-2-yl)-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-(3-hydroxybutan-2-yl)-3-methylimidazol-2-one
PubChem CID80581370
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name1-(3-hydroxybutan-2-yl)-3-methylimidazol-2-one
SMILESCC(O)C(C)n1ccn(C)c1=O
InChIInChI=1S/C8H14N2O2/c1-6(7(2)11)10-5-4-9(3)8(10)12/h4-7,11H,1-3H3
InChIKeyWPXZHUJTTXAZRJ-UHFFFAOYSA-N
XLogP0.13
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 ≤ 50.13
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-cyclopropyl-3-(3-fluoro-2-hydroxypropyl)-2,3-dihydro-1H-imidazol-2-one
CID 165600794
3-(2-hydroxypropyl)-1H-imidazol-2-one
CID 84013465
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-methylimidazol-2-one?
The IUPAC name of 1-(3-hydroxybutan-2-yl)-3-methylimidazol-2-one (CID 80581370) is 1-(3-hydroxybutan-2-yl)-3-methylimidazol-2-one.
What is the SMILES notation for 1-(3-hydroxybutan-2-yl)-3-methylimidazol-2-one?
The canonical SMILES for 1-(3-hydroxybutan-2-yl)-3-methylimidazol-2-one is CC(O)C(C)n1ccn(C)c1=O.
What is the InChIKey of 1-(3-hydroxybutan-2-yl)-3-methylimidazol-2-one?
The InChIKey is WPXZHUJTTXAZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-6(7(2)11)10-5-4-9(3)8(10)12/h4-7,11H,1-3H3.
What are the key properties of 1-(3-hydroxybutan-2-yl)-3-methylimidazol-2-one?
1-(3-hydroxybutan-2-yl)-3-methylimidazol-2-one has a molecular weight of 170.21 g/mol, XLogP of 0.13, 2 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-methylimidazol-2-one is sourced from PubChem (CID 80581370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).