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

C11H12FN3O — CID 83889906

IUPAC2-amino-2-[1-(2-fluorophenyl)imidazol-4-yl]ethanol
SMILESNC(CO)c1cn(-c2ccccc2F)cn1
InChIInChI=1S/C11H12FN3O/c12-8-3-1-2-4-11(8)15-5-10(14-7-15)9(13)6-16/h1-5,7,9,16H,6,13H2
InChIKeyXLKXGMKWOGCNIC-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.00
Rot. Bonds3

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

2-amino-2-[1-(2-fluorophenyl)imidazol-4-yl]ethanol (PubChem CID 83889906) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 2-amino-2-[1-(2-fluorophenyl)imidazol-4-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[1-(2-fluorophenyl)imidazol-4-yl]ethanol
PubChem CID83889906
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name2-amino-2-[1-(2-fluorophenyl)imidazol-4-yl]ethanol
SMILESNC(CO)c1cn(-c2ccccc2F)cn1
InChIInChI=1S/C11H12FN3O/c12-8-3-1-2-4-11(8)15-5-10(14-7-15)9(13)6-16/h1-5,7,9,16H,6,13H2
InChIKeyXLKXGMKWOGCNIC-UHFFFAOYSA-N
XLogP1.00
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[1-(2-fluorophenyl)imidazol-4-yl]ethanol?
The IUPAC name of 2-amino-2-[1-(2-fluorophenyl)imidazol-4-yl]ethanol (CID 83889906) is 2-amino-2-[1-(2-fluorophenyl)imidazol-4-yl]ethanol.
What is the SMILES notation for 2-amino-2-[1-(2-fluorophenyl)imidazol-4-yl]ethanol?
The canonical SMILES for 2-amino-2-[1-(2-fluorophenyl)imidazol-4-yl]ethanol is NC(CO)c1cn(-c2ccccc2F)cn1.
What is the InChIKey of 2-amino-2-[1-(2-fluorophenyl)imidazol-4-yl]ethanol?
The InChIKey is XLKXGMKWOGCNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c12-8-3-1-2-4-11(8)15-5-10(14-7-15)9(13)6-16/h1-5,7,9,16H,6,13H2.
What are the key properties of 2-amino-2-[1-(2-fluorophenyl)imidazol-4-yl]ethanol?
2-amino-2-[1-(2-fluorophenyl)imidazol-4-yl]ethanol has a molecular weight of 221.24 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[1-(2-fluorophenyl)imidazol-4-yl]ethanol is sourced from PubChem (CID 83889906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).