1H-imidazol-5-ylmethanol

C4H6N2O — CID 1745

IUPAC1H-imidazol-5-ylmethanol
SMILESOCc1cnc[nH]1
InChIInChI=1S/C4H6N2O/c7-2-4-1-5-3-6-4/h1,3,7H,2H2,(H,5,6)
InChIKeyQDYTUZCWBJRHKK-UHFFFAOYSA-N
MW98.10 g/mol
LogP-0.10
Rot. Bonds1

About 1H-imidazol-5-ylmethanol

1H-imidazol-5-ylmethanol (PubChem CID 1745) has the molecular formula C4H6N2O and a molecular weight of 98.10 g/mol. Its IUPAC name is 1H-imidazol-5-ylmethanol.

Molecular Properties

Compound Name1H-imidazol-5-ylmethanol
PubChem CID1745
Molecular FormulaC4H6N2O
Molecular Weight98.10 g/mol
Exact Mass98.05
IUPAC Name1H-imidazol-5-ylmethanol
SMILESOCc1cnc[nH]1
InChIInChI=1S/C4H6N2O/c7-2-4-1-5-3-6-4/h1,3,7H,2H2,(H,5,6)
InChIKeyQDYTUZCWBJRHKK-UHFFFAOYSA-N
XLogP-0.10
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1H-imidazol-5-ylmethanol 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-ylmethanol?
The IUPAC name of 1H-imidazol-5-ylmethanol (CID 1745) is 1H-imidazol-5-ylmethanol.
What is the SMILES notation for 1H-imidazol-5-ylmethanol?
The canonical SMILES for 1H-imidazol-5-ylmethanol is OCc1cnc[nH]1.
What is the InChIKey of 1H-imidazol-5-ylmethanol?
The InChIKey is QDYTUZCWBJRHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O/c7-2-4-1-5-3-6-4/h1,3,7H,2H2,(H,5,6).
What are the key properties of 1H-imidazol-5-ylmethanol?
1H-imidazol-5-ylmethanol has a molecular weight of 98.10 g/mol, XLogP of -0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-5-ylmethanol is sourced from PubChem (CID 1745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).