5-(2,2-difluoroethenyl)-1H-imidazol-4-ol

C5H4F2N2O — CID 123874025

IUPAC5-(2,2-difluoroethenyl)-1H-imidazol-4-ol
SMILESOc1nc[nH]c1C=C(F)F
InChIInChI=1S/C5H4F2N2O/c6-4(7)1-3-5(10)9-2-8-3/h1-2,10H,(H,8,9)
InChIKeyZPASTEMNYBQEKP-UHFFFAOYSA-N
MW146.10 g/mol
LogP1.35
Rot. Bonds1

About 5-(2,2-difluoroethenyl)-1H-imidazol-4-ol

5-(2,2-difluoroethenyl)-1H-imidazol-4-ol (PubChem CID 123874025) has the molecular formula C5H4F2N2O and a molecular weight of 146.10 g/mol. Its IUPAC name is 5-(2,2-difluoroethenyl)-1H-imidazol-4-ol.

Molecular Properties

Compound Name5-(2,2-difluoroethenyl)-1H-imidazol-4-ol
PubChem CID123874025
Molecular FormulaC5H4F2N2O
Molecular Weight146.10 g/mol
Exact Mass146.03
IUPAC Name5-(2,2-difluoroethenyl)-1H-imidazol-4-ol
SMILESOc1nc[nH]c1C=C(F)F
InChIInChI=1S/C5H4F2N2O/c6-4(7)1-3-5(10)9-2-8-3/h1-2,10H,(H,8,9)
InChIKeyZPASTEMNYBQEKP-UHFFFAOYSA-N
XLogP1.35
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.10
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1H-imidazol-5-ol
CID 54352844
5-(Aminomethylidene)imidazol-4-one
CID 135768762
5-[(E)-2-fluoroethenyl]-1H-imidazol-4-ol
CID 123703941
2-amino-5-ethenyl-1H-imidazol-4-ol
CID 53692990
5-ethenyl-1H-imidazol-4-ol
CID 123199688

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethenyl)-1H-imidazol-4-ol?
The IUPAC name of 5-(2,2-difluoroethenyl)-1H-imidazol-4-ol (CID 123874025) is 5-(2,2-difluoroethenyl)-1H-imidazol-4-ol.
What is the SMILES notation for 5-(2,2-difluoroethenyl)-1H-imidazol-4-ol?
The canonical SMILES for 5-(2,2-difluoroethenyl)-1H-imidazol-4-ol is Oc1nc[nH]c1C=C(F)F.
What is the InChIKey of 5-(2,2-difluoroethenyl)-1H-imidazol-4-ol?
The InChIKey is ZPASTEMNYBQEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F2N2O/c6-4(7)1-3-5(10)9-2-8-3/h1-2,10H,(H,8,9).
What are the key properties of 5-(2,2-difluoroethenyl)-1H-imidazol-4-ol?
5-(2,2-difluoroethenyl)-1H-imidazol-4-ol has a molecular weight of 146.10 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethenyl)-1H-imidazol-4-ol is sourced from PubChem (CID 123874025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).