6-(2-methylimidazol-1-yl)hexan-3-ol

C10H18N2O — CID 106802505

IUPAC6-(2-methylimidazol-1-yl)hexan-3-ol
SMILESCCC(O)CCCn1ccnc1C
InChIInChI=1S/C10H18N2O/c1-3-10(13)5-4-7-12-8-6-11-9(12)2/h6,8,10,13H,3-5,7H2,1-2H3
InChIKeyYMLOPENYYBNNAJ-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.74
Rot. Bonds5

About 6-(2-methylimidazol-1-yl)hexan-3-ol

6-(2-methylimidazol-1-yl)hexan-3-ol (PubChem CID 106802505) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 6-(2-methylimidazol-1-yl)hexan-3-ol.

Molecular Properties

Compound Name6-(2-methylimidazol-1-yl)hexan-3-ol
PubChem CID106802505
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name6-(2-methylimidazol-1-yl)hexan-3-ol
SMILESCCC(O)CCCn1ccnc1C
InChIInChI=1S/C10H18N2O/c1-3-10(13)5-4-7-12-8-6-11-9(12)2/h6,8,10,13H,3-5,7H2,1-2H3
InChIKeyYMLOPENYYBNNAJ-UHFFFAOYSA-N
XLogP1.74
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(4-methylpentyl)imidazole
CID 20811797
fluoroform;1-hexyl-2-methylimidazole
CID 174860235
2-methyl-1-(5-methylhexyl)imidazole
CID 166170762
2-methyl-1-(6-methylheptyl)imidazole
CID 176869626
6-(2-methylimidazol-1-yl)-N-propylhexan-3-amine
CID 106800208
bis(1-decyl-2-methylimidazole);dihydrochloride
CID 173324377
2-methyl-1-octylimidazole;hydrate
CID 174602652
1-(16-fluorohexadecyl)-2-methylimidazole
CID 164834559
tris(2-methyl-1-propylimidazole);trihydroiodide
CID 173173325
7-(1-methylimidazol-2-yl)heptan-3-ol
CID 114532166
1-(2-fluorobutyl)-2-methylimidazole
CID 127000116
7-(2-methylimidazol-1-yl)heptanoic acid
CID 12870527

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylimidazol-1-yl)hexan-3-ol?
The IUPAC name of 6-(2-methylimidazol-1-yl)hexan-3-ol (CID 106802505) is 6-(2-methylimidazol-1-yl)hexan-3-ol.
What is the SMILES notation for 6-(2-methylimidazol-1-yl)hexan-3-ol?
The canonical SMILES for 6-(2-methylimidazol-1-yl)hexan-3-ol is CCC(O)CCCn1ccnc1C.
What is the InChIKey of 6-(2-methylimidazol-1-yl)hexan-3-ol?
The InChIKey is YMLOPENYYBNNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-10(13)5-4-7-12-8-6-11-9(12)2/h6,8,10,13H,3-5,7H2,1-2H3.
What are the key properties of 6-(2-methylimidazol-1-yl)hexan-3-ol?
6-(2-methylimidazol-1-yl)hexan-3-ol has a molecular weight of 182.27 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylimidazol-1-yl)hexan-3-ol is sourced from PubChem (CID 106802505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).