1,2-dihydroimidazol-3-ylmethanol

C4H8N2O — CID 91187817

IUPAC1,2-dihydroimidazol-3-ylmethanol
SMILESOCN1C=CNC1
InChIInChI=1S/C4H8N2O/c7-4-6-2-1-5-3-6/h1-2,5,7H,3-4H2
InChIKeyNLQAMEONJRZSRG-UHFFFAOYSA-N
MW100.12 g/mol
LogP-0.73
Rot. Bonds1

About 1,2-dihydroimidazol-3-ylmethanol

1,2-dihydroimidazol-3-ylmethanol (PubChem CID 91187817) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is 1,2-dihydroimidazol-3-ylmethanol.

Molecular Properties

Compound Name1,2-dihydroimidazol-3-ylmethanol
PubChem CID91187817
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name1,2-dihydroimidazol-3-ylmethanol
SMILESOCN1C=CNC1
InChIInChI=1S/C4H8N2O/c7-4-6-2-1-5-3-6/h1-2,5,7H,3-4H2
InChIKeyNLQAMEONJRZSRG-UHFFFAOYSA-N
XLogP-0.73
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,2-dihydroimidazol-3-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 1,2-dihydroimidazol-3-ylmethanol?
The IUPAC name of 1,2-dihydroimidazol-3-ylmethanol (CID 91187817) is 1,2-dihydroimidazol-3-ylmethanol.
What is the SMILES notation for 1,2-dihydroimidazol-3-ylmethanol?
The canonical SMILES for 1,2-dihydroimidazol-3-ylmethanol is OCN1C=CNC1.
What is the InChIKey of 1,2-dihydroimidazol-3-ylmethanol?
The InChIKey is NLQAMEONJRZSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O/c7-4-6-2-1-5-3-6/h1-2,5,7H,3-4H2.
What are the key properties of 1,2-dihydroimidazol-3-ylmethanol?
1,2-dihydroimidazol-3-ylmethanol has a molecular weight of 100.12 g/mol, XLogP of -0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroimidazol-3-ylmethanol is sourced from PubChem (CID 91187817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).