1H-imidazol-5-ol

C3H4N2O — CID 18377217

IUPAC1H-imidazol-5-ol
SMILESOc1cnc[nH]1
InChIInChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)
InChIKeyVKFMHRMTBYXHKO-UHFFFAOYSA-N
MW84.08 g/mol
LogP0.12
Rot. Bonds

About 1H-imidazol-5-ol

1H-imidazol-5-ol (PubChem CID 18377217) has the molecular formula C3H4N2O and a molecular weight of 84.08 g/mol. Its IUPAC name is 1H-imidazol-5-ol.

Molecular Properties

Compound Name1H-imidazol-5-ol
PubChem CID18377217
Molecular FormulaC3H4N2O
Molecular Weight84.08 g/mol
Exact Mass84.03
IUPAC Name1H-imidazol-5-ol
SMILESOc1cnc[nH]1
InChIInChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)
InChIKeyVKFMHRMTBYXHKO-UHFFFAOYSA-N
XLogP0.12
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.08
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1H-imidazol-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-5-ol?
The IUPAC name of 1H-imidazol-5-ol (CID 18377217) is 1H-imidazol-5-ol.
What is the SMILES notation for 1H-imidazol-5-ol?
The canonical SMILES for 1H-imidazol-5-ol is Oc1cnc[nH]1.
What is the InChIKey of 1H-imidazol-5-ol?
The InChIKey is VKFMHRMTBYXHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5).
What are the key properties of 1H-imidazol-5-ol?
1H-imidazol-5-ol has a molecular weight of 84.08 g/mol, XLogP of 0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-5-ol is sourced from PubChem (CID 18377217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).