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

C11H20N2O — CID 130519099

IUPAC4-(2,3-dimethylimidazol-4-yl)-4-methylpentan-2-ol
SMILESCc1ncc(C(C)(C)CC(C)O)n1C
InChIInChI=1S/C11H20N2O/c1-8(14)6-11(3,4)10-7-12-9(2)13(10)5/h7-8,14H,6H2,1-5H3
InChIKeyOJGDDPHGHFZVTO-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.78
Rot. Bonds3

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

4-(2,3-dimethylimidazol-4-yl)-4-methylpentan-2-ol (PubChem CID 130519099) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-(2,3-dimethylimidazol-4-yl)-4-methylpentan-2-ol.

Molecular Properties

Compound Name4-(2,3-dimethylimidazol-4-yl)-4-methylpentan-2-ol
PubChem CID130519099
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name4-(2,3-dimethylimidazol-4-yl)-4-methylpentan-2-ol
SMILESCc1ncc(C(C)(C)CC(C)O)n1C
InChIInChI=1S/C11H20N2O/c1-8(14)6-11(3,4)10-7-12-9(2)13(10)5/h7-8,14H,6H2,1-5H3
InChIKeyOJGDDPHGHFZVTO-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylimidazol-4-yl)-4-methylpentan-2-ol?
The IUPAC name of 4-(2,3-dimethylimidazol-4-yl)-4-methylpentan-2-ol (CID 130519099) is 4-(2,3-dimethylimidazol-4-yl)-4-methylpentan-2-ol.
What is the SMILES notation for 4-(2,3-dimethylimidazol-4-yl)-4-methylpentan-2-ol?
The canonical SMILES for 4-(2,3-dimethylimidazol-4-yl)-4-methylpentan-2-ol is Cc1ncc(C(C)(C)CC(C)O)n1C.
What is the InChIKey of 4-(2,3-dimethylimidazol-4-yl)-4-methylpentan-2-ol?
The InChIKey is OJGDDPHGHFZVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-8(14)6-11(3,4)10-7-12-9(2)13(10)5/h7-8,14H,6H2,1-5H3.
What are the key properties of 4-(2,3-dimethylimidazol-4-yl)-4-methylpentan-2-ol?
4-(2,3-dimethylimidazol-4-yl)-4-methylpentan-2-ol has a molecular weight of 196.29 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylimidazol-4-yl)-4-methylpentan-2-ol is sourced from PubChem (CID 130519099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).