2-ethyl-1-methylimidazole-4,5-diol

C6H10N2O2 — CID 69013428

IUPAC2-ethyl-1-methylimidazole-4,5-diol
SMILESCCc1nc(O)c(O)n1C
InChIInChI=1S/C6H10N2O2/c1-3-4-7-5(9)6(10)8(4)2/h9-10H,3H2,1-2H3
InChIKeyQLVPOVYBMXPPMF-UHFFFAOYSA-N
MW142.16 g/mol
LogP0.39
Rot. Bonds1

About 2-ethyl-1-methylimidazole-4,5-diol

2-ethyl-1-methylimidazole-4,5-diol (PubChem CID 69013428) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 2-ethyl-1-methylimidazole-4,5-diol.

Molecular Properties

Compound Name2-ethyl-1-methylimidazole-4,5-diol
PubChem CID69013428
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name2-ethyl-1-methylimidazole-4,5-diol
SMILESCCc1nc(O)c(O)n1C
InChIInChI=1S/C6H10N2O2/c1-3-4-7-5(9)6(10)8(4)2/h9-10H,3H2,1-2H3
InChIKeyQLVPOVYBMXPPMF-UHFFFAOYSA-N
XLogP0.39
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methylimidazole-4,5-diol?
The IUPAC name of 2-ethyl-1-methylimidazole-4,5-diol (CID 69013428) is 2-ethyl-1-methylimidazole-4,5-diol.
What is the SMILES notation for 2-ethyl-1-methylimidazole-4,5-diol?
The canonical SMILES for 2-ethyl-1-methylimidazole-4,5-diol is CCc1nc(O)c(O)n1C.
What is the InChIKey of 2-ethyl-1-methylimidazole-4,5-diol?
The InChIKey is QLVPOVYBMXPPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-3-4-7-5(9)6(10)8(4)2/h9-10H,3H2,1-2H3.
What are the key properties of 2-ethyl-1-methylimidazole-4,5-diol?
2-ethyl-1-methylimidazole-4,5-diol has a molecular weight of 142.16 g/mol, XLogP of 0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methylimidazole-4,5-diol is sourced from PubChem (CID 69013428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).