1-imidazol-1-ylethanol

C5H8N2O — CID 18366448

IUPAC1-imidazol-1-ylethanol
SMILESCC(O)n1ccnc1
InChIInChI=1S/C5H8N2O/c1-5(8)7-3-2-6-4-7/h2-5,8H,1H3
InChIKeyUEKUFHQHXAAMLQ-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.39
Rot. Bonds1

About 1-imidazol-1-ylethanol

1-imidazol-1-ylethanol (PubChem CID 18366448) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 1-imidazol-1-ylethanol.

Molecular Properties

Compound Name1-imidazol-1-ylethanol
PubChem CID18366448
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name1-imidazol-1-ylethanol
SMILESCC(O)n1ccnc1
InChIInChI=1S/C5H8N2O/c1-5(8)7-3-2-6-4-7/h2-5,8H,1H3
InChIKeyUEKUFHQHXAAMLQ-UHFFFAOYSA-N
XLogP0.39
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-chloroethyl)imidazole
CID 22400425
ethane;methane;1-propan-2-ylimidazole
CID 159501500
carbonic acid;1-propan-2-ylimidazole
CID 175084414
2-imidazol-1-ylpropanoic acid
CID 16788764
3-imidazol-1-yl-2-methylbutan-1-ol
CID 175456852
3-imidazol-1-ylhexan-2-ol
CID 174552394
1-imidazol-1-yl-N,N-dimethylethanamine
CID 123720804
(2S)-2-imidazol-1-yl-4-methylpentan-1-ol
CID 10986662
1-(1-nitrosoethyl)imidazole
CID 54257439
(3R)-3-imidazol-1-ylbutanoic acid
CID 683521
boric acid;1-but-3-en-2-ylimidazole
CID 174786632
1-(dibromomethyl)imidazole
CID 175175892

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-ylethanol?
The IUPAC name of 1-imidazol-1-ylethanol (CID 18366448) is 1-imidazol-1-ylethanol.
What is the SMILES notation for 1-imidazol-1-ylethanol?
The canonical SMILES for 1-imidazol-1-ylethanol is CC(O)n1ccnc1.
What is the InChIKey of 1-imidazol-1-ylethanol?
The InChIKey is UEKUFHQHXAAMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-5(8)7-3-2-6-4-7/h2-5,8H,1H3.
What are the key properties of 1-imidazol-1-ylethanol?
1-imidazol-1-ylethanol has a molecular weight of 112.13 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-ylethanol is sourced from PubChem (CID 18366448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).