3-(2,3-dimethylimidazol-4-yl)-2-methylpentan-3-ol

C11H20N2O — CID 130518784

IUPAC3-(2,3-dimethylimidazol-4-yl)-2-methylpentan-3-ol
SMILESCCC(O)(c1cnc(C)n1C)C(C)C
InChIInChI=1S/C11H20N2O/c1-6-11(14,8(2)3)10-7-12-9(4)13(10)5/h7-8,14H,6H2,1-5H3
InChIKeyBITVOYHFZPYTMA-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.98
Rot. Bonds3

About 3-(2,3-dimethylimidazol-4-yl)-2-methylpentan-3-ol

3-(2,3-dimethylimidazol-4-yl)-2-methylpentan-3-ol (PubChem CID 130518784) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-(2,3-dimethylimidazol-4-yl)-2-methylpentan-3-ol.

Molecular Properties

Compound Name3-(2,3-dimethylimidazol-4-yl)-2-methylpentan-3-ol
PubChem CID130518784
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-(2,3-dimethylimidazol-4-yl)-2-methylpentan-3-ol
SMILESCCC(O)(c1cnc(C)n1C)C(C)C
InChIInChI=1S/C11H20N2O/c1-6-11(14,8(2)3)10-7-12-9(4)13(10)5/h7-8,14H,6H2,1-5H3
InChIKeyBITVOYHFZPYTMA-UHFFFAOYSA-N
XLogP1.98
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylimidazol-4-yl)-2-methylpentan-3-ol?
The IUPAC name of 3-(2,3-dimethylimidazol-4-yl)-2-methylpentan-3-ol (CID 130518784) is 3-(2,3-dimethylimidazol-4-yl)-2-methylpentan-3-ol.
What is the SMILES notation for 3-(2,3-dimethylimidazol-4-yl)-2-methylpentan-3-ol?
The canonical SMILES for 3-(2,3-dimethylimidazol-4-yl)-2-methylpentan-3-ol is CCC(O)(c1cnc(C)n1C)C(C)C.
What is the InChIKey of 3-(2,3-dimethylimidazol-4-yl)-2-methylpentan-3-ol?
The InChIKey is BITVOYHFZPYTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-6-11(14,8(2)3)10-7-12-9(4)13(10)5/h7-8,14H,6H2,1-5H3.
What are the key properties of 3-(2,3-dimethylimidazol-4-yl)-2-methylpentan-3-ol?
3-(2,3-dimethylimidazol-4-yl)-2-methylpentan-3-ol has a molecular weight of 196.29 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylimidazol-4-yl)-2-methylpentan-3-ol is sourced from PubChem (CID 130518784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).