2-(1H-imidazol-5-yl)-3-methylbutan-2-ol

C8H14N2O — CID 101065670

IUPAC2-(1H-imidazol-5-yl)-3-methylbutan-2-ol
SMILESCC(C)C(C)(O)c1cnc[nH]1
InChIInChI=1S/C8H14N2O/c1-6(2)8(3,11)7-4-9-5-10-7/h4-6,11H,1-3H3,(H,9,10)
InChIKeyOXCIVTDHEGRWLI-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.27
Rot. Bonds2

About 2-(1H-imidazol-5-yl)-3-methylbutan-2-ol

2-(1H-imidazol-5-yl)-3-methylbutan-2-ol (PubChem CID 101065670) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-3-methylbutan-2-ol
PubChem CID101065670
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-(1H-imidazol-5-yl)-3-methylbutan-2-ol
SMILESCC(C)C(C)(O)c1cnc[nH]1
InChIInChI=1S/C8H14N2O/c1-6(2)8(3,11)7-4-9-5-10-7/h4-6,11H,1-3H3,(H,9,10)
InChIKeyOXCIVTDHEGRWLI-UHFFFAOYSA-N
XLogP1.27
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)-3-methylbutan-2-ol?
The IUPAC name of 2-(1H-imidazol-5-yl)-3-methylbutan-2-ol (CID 101065670) is 2-(1H-imidazol-5-yl)-3-methylbutan-2-ol.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-3-methylbutan-2-ol?
The canonical SMILES for 2-(1H-imidazol-5-yl)-3-methylbutan-2-ol is CC(C)C(C)(O)c1cnc[nH]1.
What is the InChIKey of 2-(1H-imidazol-5-yl)-3-methylbutan-2-ol?
The InChIKey is OXCIVTDHEGRWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6(2)8(3,11)7-4-9-5-10-7/h4-6,11H,1-3H3,(H,9,10).
What are the key properties of 2-(1H-imidazol-5-yl)-3-methylbutan-2-ol?
2-(1H-imidazol-5-yl)-3-methylbutan-2-ol has a molecular weight of 154.21 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)-3-methylbutan-2-ol is sourced from PubChem (CID 101065670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).