[1-(4-amino-2-fluorophenyl)imidazol-4-yl]-methoxymethanol

C11H12FN3O2 — CID 142276609

IUPAC[1-(4-amino-2-fluorophenyl)imidazol-4-yl]-methoxymethanol
SMILESCOC(O)c1cn(-c2ccc(N)cc2F)cn1
InChIInChI=1S/C11H12FN3O2/c1-17-11(16)9-5-15(6-14-9)10-3-2-7(13)4-8(10)12/h2-6,11,16H,13H2,1H3
InChIKeyQBFIZMFFTJQPGS-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.23
Rot. Bonds3

About [1-(4-amino-2-fluorophenyl)imidazol-4-yl]-methoxymethanol

[1-(4-amino-2-fluorophenyl)imidazol-4-yl]-methoxymethanol (PubChem CID 142276609) has the molecular formula C11H12FN3O2 and a molecular weight of 237.23 g/mol. Its IUPAC name is [1-(4-amino-2-fluorophenyl)imidazol-4-yl]-methoxymethanol.

Molecular Properties

Compound Name[1-(4-amino-2-fluorophenyl)imidazol-4-yl]-methoxymethanol
PubChem CID142276609
Molecular FormulaC11H12FN3O2
Molecular Weight237.23 g/mol
Exact Mass237.09
IUPAC Name[1-(4-amino-2-fluorophenyl)imidazol-4-yl]-methoxymethanol
SMILESCOC(O)c1cn(-c2ccc(N)cc2F)cn1
InChIInChI=1S/C11H12FN3O2/c1-17-11(16)9-5-15(6-14-9)10-3-2-7(13)4-8(10)12/h2-6,11,16H,13H2,1H3
InChIKeyQBFIZMFFTJQPGS-UHFFFAOYSA-N
XLogP1.23
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(4-amino-2-fluorophenyl)imidazol-4-yl]-methoxymethanol?
The IUPAC name of [1-(4-amino-2-fluorophenyl)imidazol-4-yl]-methoxymethanol (CID 142276609) is [1-(4-amino-2-fluorophenyl)imidazol-4-yl]-methoxymethanol.
What is the SMILES notation for [1-(4-amino-2-fluorophenyl)imidazol-4-yl]-methoxymethanol?
The canonical SMILES for [1-(4-amino-2-fluorophenyl)imidazol-4-yl]-methoxymethanol is COC(O)c1cn(-c2ccc(N)cc2F)cn1.
What is the InChIKey of [1-(4-amino-2-fluorophenyl)imidazol-4-yl]-methoxymethanol?
The InChIKey is QBFIZMFFTJQPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2/c1-17-11(16)9-5-15(6-14-9)10-3-2-7(13)4-8(10)12/h2-6,11,16H,13H2,1H3.
What are the key properties of [1-(4-amino-2-fluorophenyl)imidazol-4-yl]-methoxymethanol?
[1-(4-amino-2-fluorophenyl)imidazol-4-yl]-methoxymethanol has a molecular weight of 237.23 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-amino-2-fluorophenyl)imidazol-4-yl]-methoxymethanol is sourced from PubChem (CID 142276609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).