2-amino-1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]ethanol

C11H12FN3O — CID 116881716

IUPAC2-amino-1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]ethanol
SMILESNCC(O)c1ncc(-c2cccc(F)c2)[nH]1
InChIInChI=1S/C11H12FN3O/c12-8-3-1-2-7(4-8)9-6-14-11(15-9)10(16)5-13/h1-4,6,10,16H,5,13H2,(H,14,15)
InChIKeyFIAPNVHELSLKCC-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.21
Rot. Bonds3

About 2-amino-1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]ethanol

2-amino-1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]ethanol (PubChem CID 116881716) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 2-amino-1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]ethanol.

Molecular Properties

Compound Name2-amino-1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]ethanol
PubChem CID116881716
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name2-amino-1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]ethanol
SMILESNCC(O)c1ncc(-c2cccc(F)c2)[nH]1
InChIInChI=1S/C11H12FN3O/c12-8-3-1-2-7(4-8)9-6-14-11(15-9)10(16)5-13/h1-4,6,10,16H,5,13H2,(H,14,15)
InChIKeyFIAPNVHELSLKCC-UHFFFAOYSA-N
XLogP1.21
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]ethanol?
The IUPAC name of 2-amino-1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]ethanol (CID 116881716) is 2-amino-1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]ethanol.
What is the SMILES notation for 2-amino-1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]ethanol?
The canonical SMILES for 2-amino-1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]ethanol is NCC(O)c1ncc(-c2cccc(F)c2)[nH]1.
What is the InChIKey of 2-amino-1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]ethanol?
The InChIKey is FIAPNVHELSLKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c12-8-3-1-2-7(4-8)9-6-14-11(15-9)10(16)5-13/h1-4,6,10,16H,5,13H2,(H,14,15).
What are the key properties of 2-amino-1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]ethanol?
2-amino-1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]ethanol has a molecular weight of 221.24 g/mol, XLogP of 1.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]ethanol is sourced from PubChem (CID 116881716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).