(4-fluoro-1H-imidazol-5-yl)methanol

C4H5FN2O — CID 567446

IUPAC(4-fluoro-1H-imidazol-5-yl)methanol
SMILESOCc1[nH]cnc1F
InChIInChI=1S/C4H5FN2O/c5-4-3(1-8)6-2-7-4/h2,8H,1H2,(H,6,7)
InChIKeyVOSQKPYOZSYHSM-UHFFFAOYSA-N
MW116.09 g/mol
LogP0.04
Rot. Bonds1

About (4-fluoro-1H-imidazol-5-yl)methanol

(4-fluoro-1H-imidazol-5-yl)methanol (PubChem CID 567446) has the molecular formula C4H5FN2O and a molecular weight of 116.09 g/mol. Its IUPAC name is (4-fluoro-1H-imidazol-5-yl)methanol.

Molecular Properties

Compound Name(4-fluoro-1H-imidazol-5-yl)methanol
PubChem CID567446
Molecular FormulaC4H5FN2O
Molecular Weight116.09 g/mol
Exact Mass116.04
IUPAC Name(4-fluoro-1H-imidazol-5-yl)methanol
SMILESOCc1[nH]cnc1F
InChIInChI=1S/C4H5FN2O/c5-4-3(1-8)6-2-7-4/h2,8H,1H2,(H,6,7)
InChIKeyVOSQKPYOZSYHSM-UHFFFAOYSA-N
XLogP0.04
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.09
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1H-imidazol-5-yl)methanol?
The IUPAC name of (4-fluoro-1H-imidazol-5-yl)methanol (CID 567446) is (4-fluoro-1H-imidazol-5-yl)methanol.
What is the SMILES notation for (4-fluoro-1H-imidazol-5-yl)methanol?
The canonical SMILES for (4-fluoro-1H-imidazol-5-yl)methanol is OCc1[nH]cnc1F.
What is the InChIKey of (4-fluoro-1H-imidazol-5-yl)methanol?
The InChIKey is VOSQKPYOZSYHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN2O/c5-4-3(1-8)6-2-7-4/h2,8H,1H2,(H,6,7).
What are the key properties of (4-fluoro-1H-imidazol-5-yl)methanol?
(4-fluoro-1H-imidazol-5-yl)methanol has a molecular weight of 116.09 g/mol, XLogP of 0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1H-imidazol-5-yl)methanol is sourced from PubChem (CID 567446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).