2,3-dihydro-1H-imidazol-4-ylmethanol

C4H8N2O — CID 12630193

IUPAC2,3-dihydro-1H-imidazol-4-ylmethanol
SMILESOCC1=CNCN1
InChIInChI=1S/C4H8N2O/c7-2-4-1-5-3-6-4/h1,5-7H,2-3H2
InChIKeyQJGRRRJDIHSHEH-UHFFFAOYSA-N
MW100.12 g/mol
LogP-1.03
Rot. Bonds1

About 2,3-dihydro-1H-imidazol-4-ylmethanol

2,3-dihydro-1H-imidazol-4-ylmethanol (PubChem CID 12630193) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is 2,3-dihydro-1H-imidazol-4-ylmethanol.

Molecular Properties

Compound Name2,3-dihydro-1H-imidazol-4-ylmethanol
PubChem CID12630193
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name2,3-dihydro-1H-imidazol-4-ylmethanol
SMILESOCC1=CNCN1
InChIInChI=1S/C4H8N2O/c7-2-4-1-5-3-6-4/h1,5-7H,2-3H2
InChIKeyQJGRRRJDIHSHEH-UHFFFAOYSA-N
XLogP-1.03
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2,3-dihydro-1H-imidazol-4-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 2,3-dihydro-1H-imidazol-4-ylmethanol?
The IUPAC name of 2,3-dihydro-1H-imidazol-4-ylmethanol (CID 12630193) is 2,3-dihydro-1H-imidazol-4-ylmethanol.
What is the SMILES notation for 2,3-dihydro-1H-imidazol-4-ylmethanol?
The canonical SMILES for 2,3-dihydro-1H-imidazol-4-ylmethanol is OCC1=CNCN1.
What is the InChIKey of 2,3-dihydro-1H-imidazol-4-ylmethanol?
The InChIKey is QJGRRRJDIHSHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O/c7-2-4-1-5-3-6-4/h1,5-7H,2-3H2.
What are the key properties of 2,3-dihydro-1H-imidazol-4-ylmethanol?
2,3-dihydro-1H-imidazol-4-ylmethanol has a molecular weight of 100.12 g/mol, XLogP of -1.03, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-imidazol-4-ylmethanol is sourced from PubChem (CID 12630193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).