2-[2-(3-methylpentan-3-yl)-4,5-dihydroimidazol-1-yl]ethanol

C11H22N2O — CID 58910115

IUPAC2-[2-(3-methylpentan-3-yl)-4,5-dihydroimidazol-1-yl]ethanol
SMILESCCC(C)(CC)C1=NCCN1CCO
InChIInChI=1S/C11H22N2O/c1-4-11(3,5-2)10-12-6-7-13(10)8-9-14/h14H,4-9H2,1-3H3
InChIKeyQOEGDXJWQOYJAJ-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.52
Rot. Bonds5

About 2-[2-(3-methylpentan-3-yl)-4,5-dihydroimidazol-1-yl]ethanol

2-[2-(3-methylpentan-3-yl)-4,5-dihydroimidazol-1-yl]ethanol (PubChem CID 58910115) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-[2-(3-methylpentan-3-yl)-4,5-dihydroimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-(3-methylpentan-3-yl)-4,5-dihydroimidazol-1-yl]ethanol
PubChem CID58910115
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-[2-(3-methylpentan-3-yl)-4,5-dihydroimidazol-1-yl]ethanol
SMILESCCC(C)(CC)C1=NCCN1CCO
InChIInChI=1S/C11H22N2O/c1-4-11(3,5-2)10-12-6-7-13(10)8-9-14/h14H,4-9H2,1-3H3
InChIKeyQOEGDXJWQOYJAJ-UHFFFAOYSA-N
XLogP1.52
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylpentan-3-yl)-4,5-dihydroimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-(3-methylpentan-3-yl)-4,5-dihydroimidazol-1-yl]ethanol (CID 58910115) is 2-[2-(3-methylpentan-3-yl)-4,5-dihydroimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-(3-methylpentan-3-yl)-4,5-dihydroimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-(3-methylpentan-3-yl)-4,5-dihydroimidazol-1-yl]ethanol is CCC(C)(CC)C1=NCCN1CCO.
What is the InChIKey of 2-[2-(3-methylpentan-3-yl)-4,5-dihydroimidazol-1-yl]ethanol?
The InChIKey is QOEGDXJWQOYJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-11(3,5-2)10-12-6-7-13(10)8-9-14/h14H,4-9H2,1-3H3.
What are the key properties of 2-[2-(3-methylpentan-3-yl)-4,5-dihydroimidazol-1-yl]ethanol?
2-[2-(3-methylpentan-3-yl)-4,5-dihydroimidazol-1-yl]ethanol has a molecular weight of 198.31 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylpentan-3-yl)-4,5-dihydroimidazol-1-yl]ethanol is sourced from PubChem (CID 58910115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).