1-(1-methylimidazol-2-yl)heptane-3,4-diol

C11H20N2O2 — CID 103455046

IUPAC1-(1-methylimidazol-2-yl)heptane-3,4-diol
SMILESCCCC(O)C(O)CCc1nccn1C
InChIInChI=1S/C11H20N2O2/c1-3-4-9(14)10(15)5-6-11-12-7-8-13(11)2/h7-10,14-15H,3-6H2,1-2H3
InChIKeyOIARKWRNFLYRFU-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.87
Rot. Bonds6

About 1-(1-methylimidazol-2-yl)heptane-3,4-diol

1-(1-methylimidazol-2-yl)heptane-3,4-diol (PubChem CID 103455046) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)heptane-3,4-diol.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)heptane-3,4-diol
PubChem CID103455046
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-(1-methylimidazol-2-yl)heptane-3,4-diol
SMILESCCCC(O)C(O)CCc1nccn1C
InChIInChI=1S/C11H20N2O2/c1-3-4-9(14)10(15)5-6-11-12-7-8-13(11)2/h7-10,14-15H,3-6H2,1-2H3
InChIKeyOIARKWRNFLYRFU-UHFFFAOYSA-N
XLogP0.87
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-ol
CID 114529861
8-(1-methylimidazol-2-yl)octan-4-ol
CID 114532164
2-(3-methoxyhexyl)-1-methylimidazole;hydroiodide
CID 173490201
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
2-butyl-1-methylimidazole;propan-2-ol;hydrochloride
CID 175427574
azane;1-methyl-2-propylimidazole
CID 174525892
1-(1-methylimidazol-2-yl)-4-propylheptan-3-one
CID 115811810
methanamine;1-methyl-2-propylimidazole
CID 164902083
7-(1-methylimidazol-2-yl)heptan-3-ol
CID 114532166
2-(4-bromoheptyl)-1-methylimidazole
CID 79761944
1-(4-aminophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 106695562
2-fluoro-4-(1-methylimidazol-2-yl)butan-1-amine
CID 114533122

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)heptane-3,4-diol?
The IUPAC name of 1-(1-methylimidazol-2-yl)heptane-3,4-diol (CID 103455046) is 1-(1-methylimidazol-2-yl)heptane-3,4-diol.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)heptane-3,4-diol?
The canonical SMILES for 1-(1-methylimidazol-2-yl)heptane-3,4-diol is CCCC(O)C(O)CCc1nccn1C.
What is the InChIKey of 1-(1-methylimidazol-2-yl)heptane-3,4-diol?
The InChIKey is OIARKWRNFLYRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-4-9(14)10(15)5-6-11-12-7-8-13(11)2/h7-10,14-15H,3-6H2,1-2H3.
What are the key properties of 1-(1-methylimidazol-2-yl)heptane-3,4-diol?
1-(1-methylimidazol-2-yl)heptane-3,4-diol has a molecular weight of 212.29 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)heptane-3,4-diol is sourced from PubChem (CID 103455046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).