4,5-dihydroimidazol-1-ylmethanediol

C4H8N2O2 — CID 57152523

IUPAC4,5-dihydroimidazol-1-ylmethanediol
SMILESOC(O)N1C=NCC1
InChIInChI=1S/C4H8N2O2/c7-4(8)6-2-1-5-3-6/h3-4,7-8H,1-2H2
InChIKeyMTXHFIUTHIDKDG-UHFFFAOYSA-N
MW116.12 g/mol
LogP-1.40
Rot. Bonds1

About 4,5-dihydroimidazol-1-ylmethanediol

4,5-dihydroimidazol-1-ylmethanediol (PubChem CID 57152523) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is 4,5-dihydroimidazol-1-ylmethanediol.

Molecular Properties

Compound Name4,5-dihydroimidazol-1-ylmethanediol
PubChem CID57152523
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Name4,5-dihydroimidazol-1-ylmethanediol
SMILESOC(O)N1C=NCC1
InChIInChI=1S/C4H8N2O2/c7-4(8)6-2-1-5-3-6/h3-4,7-8H,1-2H2
InChIKeyMTXHFIUTHIDKDG-UHFFFAOYSA-N
XLogP-1.40
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroimidazol-1-ylmethanediol?
The IUPAC name of 4,5-dihydroimidazol-1-ylmethanediol (CID 57152523) is 4,5-dihydroimidazol-1-ylmethanediol.
What is the SMILES notation for 4,5-dihydroimidazol-1-ylmethanediol?
The canonical SMILES for 4,5-dihydroimidazol-1-ylmethanediol is OC(O)N1C=NCC1.
What is the InChIKey of 4,5-dihydroimidazol-1-ylmethanediol?
The InChIKey is MTXHFIUTHIDKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2/c7-4(8)6-2-1-5-3-6/h3-4,7-8H,1-2H2.
What are the key properties of 4,5-dihydroimidazol-1-ylmethanediol?
4,5-dihydroimidazol-1-ylmethanediol has a molecular weight of 116.12 g/mol, XLogP of -1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroimidazol-1-ylmethanediol is sourced from PubChem (CID 57152523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).