1,2-dimethylimidazole-4,5-diol

C5H8N2O2 — CID 54237963

IUPAC1,2-dimethylimidazole-4,5-diol
SMILESCc1nc(O)c(O)n1C
InChIInChI=1S/C5H8N2O2/c1-3-6-4(8)5(9)7(3)2/h8-9H,1-2H3
InChIKeyQNXNTXYFRSFDED-UHFFFAOYSA-N
MW128.13 g/mol
LogP0.14
Rot. Bonds

About 1,2-dimethylimidazole-4,5-diol

1,2-dimethylimidazole-4,5-diol (PubChem CID 54237963) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is 1,2-dimethylimidazole-4,5-diol.

Molecular Properties

Compound Name1,2-dimethylimidazole-4,5-diol
PubChem CID54237963
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name1,2-dimethylimidazole-4,5-diol
SMILESCc1nc(O)c(O)n1C
InChIInChI=1S/C5H8N2O2/c1-3-6-4(8)5(9)7(3)2/h8-9H,1-2H3
InChIKeyQNXNTXYFRSFDED-UHFFFAOYSA-N
XLogP0.14
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylimidazole-4,5-diol?
The IUPAC name of 1,2-dimethylimidazole-4,5-diol (CID 54237963) is 1,2-dimethylimidazole-4,5-diol.
What is the SMILES notation for 1,2-dimethylimidazole-4,5-diol?
The canonical SMILES for 1,2-dimethylimidazole-4,5-diol is Cc1nc(O)c(O)n1C.
What is the InChIKey of 1,2-dimethylimidazole-4,5-diol?
The InChIKey is QNXNTXYFRSFDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-3-6-4(8)5(9)7(3)2/h8-9H,1-2H3.
What are the key properties of 1,2-dimethylimidazole-4,5-diol?
1,2-dimethylimidazole-4,5-diol has a molecular weight of 128.13 g/mol, XLogP of 0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylimidazole-4,5-diol is sourced from PubChem (CID 54237963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).