5-methyl-1H-imidazol-4-ol

C4H6N2O — CID 54352844

IUPAC5-methyl-1H-imidazol-4-ol
SMILESCc1[nH]cnc1O
InChIInChI=1S/C4H6N2O/c1-3-4(7)6-2-5-3/h2,7H,1H3,(H,5,6)
InChIKeyUGZDZSOMKGGBIG-UHFFFAOYSA-N
MW98.10 g/mol
LogP0.42
Rot. Bonds

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

5-methyl-1H-imidazol-4-ol (PubChem CID 54352844) has the molecular formula C4H6N2O and a molecular weight of 98.10 g/mol. Its IUPAC name is 5-methyl-1H-imidazol-4-ol.

Molecular Properties

Compound Name5-methyl-1H-imidazol-4-ol
PubChem CID54352844
Molecular FormulaC4H6N2O
Molecular Weight98.10 g/mol
Exact Mass98.05
IUPAC Name5-methyl-1H-imidazol-4-ol
SMILESCc1[nH]cnc1O
InChIInChI=1S/C4H6N2O/c1-3-4(7)6-2-5-3/h2,7H,1H3,(H,5,6)
InChIKeyUGZDZSOMKGGBIG-UHFFFAOYSA-N
XLogP0.42
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-imidazol-4-ol?
The IUPAC name of 5-methyl-1H-imidazol-4-ol (CID 54352844) is 5-methyl-1H-imidazol-4-ol.
What is the SMILES notation for 5-methyl-1H-imidazol-4-ol?
The canonical SMILES for 5-methyl-1H-imidazol-4-ol is Cc1[nH]cnc1O.
What is the InChIKey of 5-methyl-1H-imidazol-4-ol?
The InChIKey is UGZDZSOMKGGBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O/c1-3-4(7)6-2-5-3/h2,7H,1H3,(H,5,6).
What are the key properties of 5-methyl-1H-imidazol-4-ol?
5-methyl-1H-imidazol-4-ol has a molecular weight of 98.10 g/mol, XLogP of 0.42, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-imidazol-4-ol is sourced from PubChem (CID 54352844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).