5-ethyl-1H-imidazol-4-ol

C5H8N2O — CID 14094187

IUPAC5-ethyl-1H-imidazol-4-ol
SMILESCCc1[nH]cnc1O
InChIInChI=1S/C5H8N2O/c1-2-4-5(8)7-3-6-4/h3,8H,2H2,1H3,(H,6,7)
InChIKeyAVKRFEZLHPIAJO-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.68
Rot. Bonds1

About 5-ethyl-1H-imidazol-4-ol

5-ethyl-1H-imidazol-4-ol (PubChem CID 14094187) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 5-ethyl-1H-imidazol-4-ol.

Molecular Properties

Compound Name5-ethyl-1H-imidazol-4-ol
PubChem CID14094187
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name5-ethyl-1H-imidazol-4-ol
SMILESCCc1[nH]cnc1O
InChIInChI=1S/C5H8N2O/c1-2-4-5(8)7-3-6-4/h3,8H,2H2,1H3,(H,6,7)
InChIKeyAVKRFEZLHPIAJO-UHFFFAOYSA-N
XLogP0.68
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Hydroxyhistamine
CID 557598
4-methyl-1H-imidazol-5-ol
CID 54352844
5-(Aminomethylidene)imidazol-4-one
CID 135768762
4-ethyl-5-methoxy-1H-imidazole
CID 45092622
4-methoxy-5-propan-2-yl-1H-imidazole
CID 12531955
5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-ol
CID 21031485
2-amino-5-propan-2-yl-1H-imidazol-4-ol
CID 45075983
2-ethyl-5-propan-2-yl-1H-imidazol-4-ol
CID 54338164
5-(2-methylpropyl)-1H-imidazol-4-ol
CID 57091779
2,5-diethyl-1H-imidazol-4-ol
CID 57140513
5-propan-2-yl-1H-imidazol-4-ol
CID 57158194
5-tert-butyl-2-ethyl-1H-imidazol-4-ol
CID 57217126

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1H-imidazol-4-ol?
The IUPAC name of 5-ethyl-1H-imidazol-4-ol (CID 14094187) is 5-ethyl-1H-imidazol-4-ol.
What is the SMILES notation for 5-ethyl-1H-imidazol-4-ol?
The canonical SMILES for 5-ethyl-1H-imidazol-4-ol is CCc1[nH]cnc1O.
What is the InChIKey of 5-ethyl-1H-imidazol-4-ol?
The InChIKey is AVKRFEZLHPIAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-2-4-5(8)7-3-6-4/h3,8H,2H2,1H3,(H,6,7).
What are the key properties of 5-ethyl-1H-imidazol-4-ol?
5-ethyl-1H-imidazol-4-ol has a molecular weight of 112.13 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1H-imidazol-4-ol is sourced from PubChem (CID 14094187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).