1-(1-ethylimidazol-2-yl)-2-hydroxy-2-methylbutan-1-one

C10H16N2O2 — CID 103446629

IUPAC1-(1-ethylimidazol-2-yl)-2-hydroxy-2-methylbutan-1-one
SMILESCCn1ccnc1C(=O)C(C)(O)CC
InChIInChI=1S/C10H16N2O2/c1-4-10(3,14)8(13)9-11-6-7-12(9)5-2/h6-7,14H,4-5H2,1-3H3
InChIKeyUVVXAUVEIOAREQ-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.25
Rot. Bonds4

About 1-(1-ethylimidazol-2-yl)-2-hydroxy-2-methylbutan-1-one

1-(1-ethylimidazol-2-yl)-2-hydroxy-2-methylbutan-1-one (PubChem CID 103446629) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-2-hydroxy-2-methylbutan-1-one.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-2-hydroxy-2-methylbutan-1-one
PubChem CID103446629
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-(1-ethylimidazol-2-yl)-2-hydroxy-2-methylbutan-1-one
SMILESCCn1ccnc1C(=O)C(C)(O)CC
InChIInChI=1S/C10H16N2O2/c1-4-10(3,14)8(13)9-11-6-7-12(9)5-2/h6-7,14H,4-5H2,1-3H3
InChIKeyUVVXAUVEIOAREQ-UHFFFAOYSA-N
XLogP1.25
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-ethylimidazol-2-yl)-2-hydroxy-2-methylbutan-1-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

2-(dimethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-1-one
CID 79052166
2-(aminomethyl)-1-(1-ethylimidazol-2-yl)-2-methylbutan-1-one
CID 116610931
2-ethoxy-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-one
CID 116710204
1-(1-ethylimidazol-2-yl)-2-methyl-2-phenylpropan-1-one
CID 63975640
1-(1-ethylimidazol-2-yl)-2-methyl-2-morpholin-4-ylbutan-1-one
CID 79064858
2-(1-ethylimidazol-2-yl)-2-oxoacetic acid
CID 66669024
4-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one
CID 116571399
1-(1-ethylimidazol-2-yl)-3-methoxy-3-methylbutan-1-one
CID 103023250
1-(1-ethylimidazol-2-yl)prop-2-en-1-one
CID 103453576
[4-(aminomethyl)phenyl]-(1-ethylimidazol-2-yl)methanone
CID 116548266
2-hydroxy-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-1-one
CID 126978897
1-(1-ethylimidazol-2-yl)-3,5,5-trimethylhexan-1-one
CID 114973012

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-2-hydroxy-2-methylbutan-1-one?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-2-hydroxy-2-methylbutan-1-one (CID 103446629) is 1-(1-ethylimidazol-2-yl)-2-hydroxy-2-methylbutan-1-one.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-2-hydroxy-2-methylbutan-1-one?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-2-hydroxy-2-methylbutan-1-one is CCn1ccnc1C(=O)C(C)(O)CC.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-2-hydroxy-2-methylbutan-1-one?
The InChIKey is UVVXAUVEIOAREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-10(3,14)8(13)9-11-6-7-12(9)5-2/h6-7,14H,4-5H2,1-3H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-2-hydroxy-2-methylbutan-1-one?
1-(1-ethylimidazol-2-yl)-2-hydroxy-2-methylbutan-1-one has a molecular weight of 196.25 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-2-hydroxy-2-methylbutan-1-one is sourced from PubChem (CID 103446629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).