3-(4,5-dimethylimidazol-1-yl)heptan-4-ol

C12H22N2O — CID 62351287

IUPAC3-(4,5-dimethylimidazol-1-yl)heptan-4-ol
SMILESCCCC(O)C(CC)n1cnc(C)c1C
InChIInChI=1S/C12H22N2O/c1-5-7-12(15)11(6-2)14-8-13-9(3)10(14)4/h8,11-12,15H,5-7H2,1-4H3
InChIKeyHAQLHYLINDIRDQ-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.61
Rot. Bonds5

About 3-(4,5-dimethylimidazol-1-yl)heptan-4-ol

3-(4,5-dimethylimidazol-1-yl)heptan-4-ol (PubChem CID 62351287) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-(4,5-dimethylimidazol-1-yl)heptan-4-ol.

Molecular Properties

Compound Name3-(4,5-dimethylimidazol-1-yl)heptan-4-ol
PubChem CID62351287
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-(4,5-dimethylimidazol-1-yl)heptan-4-ol
SMILESCCCC(O)C(CC)n1cnc(C)c1C
InChIInChI=1S/C12H22N2O/c1-5-7-12(15)11(6-2)14-8-13-9(3)10(14)4/h8,11-12,15H,5-7H2,1-4H3
InChIKeyHAQLHYLINDIRDQ-UHFFFAOYSA-N
XLogP2.61
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethylimidazol-1-yl)heptan-4-ol?
The IUPAC name of 3-(4,5-dimethylimidazol-1-yl)heptan-4-ol (CID 62351287) is 3-(4,5-dimethylimidazol-1-yl)heptan-4-ol.
What is the SMILES notation for 3-(4,5-dimethylimidazol-1-yl)heptan-4-ol?
The canonical SMILES for 3-(4,5-dimethylimidazol-1-yl)heptan-4-ol is CCCC(O)C(CC)n1cnc(C)c1C.
What is the InChIKey of 3-(4,5-dimethylimidazol-1-yl)heptan-4-ol?
The InChIKey is HAQLHYLINDIRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-5-7-12(15)11(6-2)14-8-13-9(3)10(14)4/h8,11-12,15H,5-7H2,1-4H3.
What are the key properties of 3-(4,5-dimethylimidazol-1-yl)heptan-4-ol?
3-(4,5-dimethylimidazol-1-yl)heptan-4-ol has a molecular weight of 210.32 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethylimidazol-1-yl)heptan-4-ol is sourced from PubChem (CID 62351287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).