2-imidazol-1-ylpropan-2-ol

C6H10N2O — CID 57110355

IUPAC2-imidazol-1-ylpropan-2-ol
SMILESCC(C)(O)n1ccnc1
InChIInChI=1S/C6H10N2O/c1-6(2,9)8-4-3-7-5-8/h3-5,9H,1-2H3
InChIKeyXEJXOAOAZYUIRU-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.57
Rot. Bonds1

About 2-imidazol-1-ylpropan-2-ol

2-imidazol-1-ylpropan-2-ol (PubChem CID 57110355) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-imidazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name2-imidazol-1-ylpropan-2-ol
PubChem CID57110355
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name2-imidazol-1-ylpropan-2-ol
SMILESCC(C)(O)n1ccnc1
InChIInChI=1S/C6H10N2O/c1-6(2,9)8-4-3-7-5-8/h3-5,9H,1-2H3
InChIKeyXEJXOAOAZYUIRU-UHFFFAOYSA-N
XLogP0.57
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-ylpropan-2-ol?
The IUPAC name of 2-imidazol-1-ylpropan-2-ol (CID 57110355) is 2-imidazol-1-ylpropan-2-ol.
What is the SMILES notation for 2-imidazol-1-ylpropan-2-ol?
The canonical SMILES for 2-imidazol-1-ylpropan-2-ol is CC(C)(O)n1ccnc1.
What is the InChIKey of 2-imidazol-1-ylpropan-2-ol?
The InChIKey is XEJXOAOAZYUIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-6(2,9)8-4-3-7-5-8/h3-5,9H,1-2H3.
What are the key properties of 2-imidazol-1-ylpropan-2-ol?
2-imidazol-1-ylpropan-2-ol has a molecular weight of 126.16 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-ylpropan-2-ol is sourced from PubChem (CID 57110355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).