4-(1-methylimidazol-2-yl)-1-propan-2-yloxybutan-2-ol

C11H20N2O2 — CID 105130936

IUPAC4-(1-methylimidazol-2-yl)-1-propan-2-yloxybutan-2-ol
SMILESCC(C)OCC(O)CCc1nccn1C
InChIInChI=1S/C11H20N2O2/c1-9(2)15-8-10(14)4-5-11-12-6-7-13(11)3/h6-7,9-10,14H,4-5,8H2,1-3H3
InChIKeyMTFKVKGETBMWIX-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.14
Rot. Bonds6

About 4-(1-methylimidazol-2-yl)-1-propan-2-yloxybutan-2-ol

4-(1-methylimidazol-2-yl)-1-propan-2-yloxybutan-2-ol (PubChem CID 105130936) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-(1-methylimidazol-2-yl)-1-propan-2-yloxybutan-2-ol.

Molecular Properties

Compound Name4-(1-methylimidazol-2-yl)-1-propan-2-yloxybutan-2-ol
PubChem CID105130936
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name4-(1-methylimidazol-2-yl)-1-propan-2-yloxybutan-2-ol
SMILESCC(C)OCC(O)CCc1nccn1C
InChIInChI=1S/C11H20N2O2/c1-9(2)15-8-10(14)4-5-11-12-6-7-13(11)3/h6-7,9-10,14H,4-5,8H2,1-3H3
InChIKeyMTFKVKGETBMWIX-UHFFFAOYSA-N
XLogP1.14
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1-methylimidazol-2-yl)-1-propan-2-yloxybutan-2-yl]hydrazine
CID 105340257
4-(1-methylimidazol-2-yl)-1-(propan-2-ylamino)butan-2-ol
CID 114532622
5,6,6-trimethyl-1-(1-methylimidazol-2-yl)heptan-3-ol
CID 115838049
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
1-(1-methylimidazol-2-yl)heptane-3,4-diol
CID 103455046
1-cyclopentyl-5-(1-methylimidazol-2-yl)pentan-3-ol
CID 115838050
1-(3,5-difluorophenyl)-4-(1-methylimidazol-2-yl)butan-2-ol
CID 114529701
7-(1-methylimidazol-2-yl)heptan-3-ol
CID 114532166
4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-ol
CID 114529861
2-fluoro-4-(1-methylimidazol-2-yl)butan-1-amine
CID 114533122
2-butyl-1-methylimidazole;propan-2-ol;hydrochloride
CID 175427574
3-(1-methylimidazol-2-yl)-1-pyridin-4-ylpropan-1-ol
CID 114529061

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylimidazol-2-yl)-1-propan-2-yloxybutan-2-ol?
The IUPAC name of 4-(1-methylimidazol-2-yl)-1-propan-2-yloxybutan-2-ol (CID 105130936) is 4-(1-methylimidazol-2-yl)-1-propan-2-yloxybutan-2-ol.
What is the SMILES notation for 4-(1-methylimidazol-2-yl)-1-propan-2-yloxybutan-2-ol?
The canonical SMILES for 4-(1-methylimidazol-2-yl)-1-propan-2-yloxybutan-2-ol is CC(C)OCC(O)CCc1nccn1C.
What is the InChIKey of 4-(1-methylimidazol-2-yl)-1-propan-2-yloxybutan-2-ol?
The InChIKey is MTFKVKGETBMWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-9(2)15-8-10(14)4-5-11-12-6-7-13(11)3/h6-7,9-10,14H,4-5,8H2,1-3H3.
What are the key properties of 4-(1-methylimidazol-2-yl)-1-propan-2-yloxybutan-2-ol?
4-(1-methylimidazol-2-yl)-1-propan-2-yloxybutan-2-ol has a molecular weight of 212.29 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylimidazol-2-yl)-1-propan-2-yloxybutan-2-ol is sourced from PubChem (CID 105130936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).