3-methoxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-ol

C11H20N2O2 — CID 116711834

IUPAC3-methoxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-ol
SMILESCOC(C(C)C)C(O)Cc1nccn1C
InChIInChI=1S/C11H20N2O2/c1-8(2)11(15-4)9(14)7-10-12-5-6-13(10)3/h5-6,8-9,11,14H,7H2,1-4H3
InChIKeyVHULAGFTKJKFDQ-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.99
Rot. Bonds5

About 3-methoxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-ol

3-methoxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-ol (PubChem CID 116711834) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-methoxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-ol.

Molecular Properties

Compound Name3-methoxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-ol
PubChem CID116711834
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-methoxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-ol
SMILESCOC(C(C)C)C(O)Cc1nccn1C
InChIInChI=1S/C11H20N2O2/c1-8(2)11(15-4)9(14)7-10-12-5-6-13(10)3/h5-6,8-9,11,14H,7H2,1-4H3
InChIKeyVHULAGFTKJKFDQ-UHFFFAOYSA-N
XLogP0.99
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methoxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-ol 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

1,1-diethoxy-3-(1-methylimidazol-2-yl)propan-2-ol
CID 79753127
3-ethoxy-4-methyl-1-(1-propylimidazol-2-yl)pentan-2-ol
CID 116712374
2-methoxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 115610745
1-(6-methoxypyridazin-3-yl)-2-(1-methylimidazol-2-yl)ethanol
CID 103373713
3-ethoxy-3-ethyl-1-(1-methylimidazol-2-yl)pentan-2-ol
CID 116752394
4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-ol
CID 114529861
2-(3-bromo-2-methylpropyl)-1-methylimidazole
CID 64671780
2-(1-methylimidazol-2-yl)-1-pyrazin-2-ylethanol
CID 79752608
(3E)-3-(ethoxymethylidene)-1-(1-methylimidazol-2-yl)pentan-2-ol
CID 14269784
3-methyl-1-(1-methylimidazol-2-yl)-3-methylsulfonylbutan-2-ol
CID 115820431
4-methoxy-N-methyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 79751381
ethyl 2-fluoro-3-(1-methylimidazol-2-yl)propanoate
CID 79738546

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-ol?
The IUPAC name of 3-methoxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-ol (CID 116711834) is 3-methoxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-ol.
What is the SMILES notation for 3-methoxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-ol?
The canonical SMILES for 3-methoxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-ol is COC(C(C)C)C(O)Cc1nccn1C.
What is the InChIKey of 3-methoxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-ol?
The InChIKey is VHULAGFTKJKFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8(2)11(15-4)9(14)7-10-12-5-6-13(10)3/h5-6,8-9,11,14H,7H2,1-4H3.
What are the key properties of 3-methoxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-ol?
3-methoxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-ol has a molecular weight of 212.29 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-ol is sourced from PubChem (CID 116711834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).