1-(4-fluorophenyl)-2-(1H-imidazol-2-ylmethylamino)propan-1-ol

C13H16FN3O — CID 111422085

IUPAC1-(4-fluorophenyl)-2-(1H-imidazol-2-ylmethylamino)propan-1-ol
SMILESCC(NCc1ncc[nH]1)C(O)c1ccc(F)cc1
InChIInChI=1S/C13H16FN3O/c1-9(17-8-12-15-6-7-16-12)13(18)10-2-4-11(14)5-3-10/h2-7,9,13,17-18H,8H2,1H3,(H,15,16)
InChIKeyLOFLOXQIKPZIQG-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.76
Rot. Bonds5

About 1-(4-fluorophenyl)-2-(1H-imidazol-2-ylmethylamino)propan-1-ol

1-(4-fluorophenyl)-2-(1H-imidazol-2-ylmethylamino)propan-1-ol (PubChem CID 111422085) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(1H-imidazol-2-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(1H-imidazol-2-ylmethylamino)propan-1-ol
PubChem CID111422085
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name1-(4-fluorophenyl)-2-(1H-imidazol-2-ylmethylamino)propan-1-ol
SMILESCC(NCc1ncc[nH]1)C(O)c1ccc(F)cc1
InChIInChI=1S/C13H16FN3O/c1-9(17-8-12-15-6-7-16-12)13(18)10-2-4-11(14)5-3-10/h2-7,9,13,17-18H,8H2,1H3,(H,15,16)
InChIKeyLOFLOXQIKPZIQG-UHFFFAOYSA-N
XLogP1.76
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,3S)-1-(4-fluorophenyl)-3-(1H-imidazol-2-ylmethylamino)butan-1-ol
CID 97249720
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CID 64547217
(1R)-1-(3-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine
CID 81368803
1-(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]propan-1-ol
CID 82313108
N-(1H-imidazol-2-ylmethyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 54976562
1-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]propan-1-ol
CID 111466927
2-[2-(diethylamino)ethylamino]-1-(4-fluorophenyl)propan-1-ol
CID 82313119
(2R)-1-(1H-imidazol-2-ylmethylamino)propan-2-ol
CID 92763391
2-(1H-imidazol-2-ylmethylamino)-2-phenylethanol
CID 63182355
1-(4-fluorophenyl)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]propan-1-ol
CID 111422084
N-(1H-imidazol-2-ylmethyl)-1-(4-methyl-3-nitrophenyl)ethanamine
CID 64546047
2-(1H-imidazol-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)ethanol
CID 111422192

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(1H-imidazol-2-ylmethylamino)propan-1-ol?
The IUPAC name of 1-(4-fluorophenyl)-2-(1H-imidazol-2-ylmethylamino)propan-1-ol (CID 111422085) is 1-(4-fluorophenyl)-2-(1H-imidazol-2-ylmethylamino)propan-1-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(1H-imidazol-2-ylmethylamino)propan-1-ol?
The canonical SMILES for 1-(4-fluorophenyl)-2-(1H-imidazol-2-ylmethylamino)propan-1-ol is CC(NCc1ncc[nH]1)C(O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(1H-imidazol-2-ylmethylamino)propan-1-ol?
The InChIKey is LOFLOXQIKPZIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-9(17-8-12-15-6-7-16-12)13(18)10-2-4-11(14)5-3-10/h2-7,9,13,17-18H,8H2,1H3,(H,15,16).
What are the key properties of 1-(4-fluorophenyl)-2-(1H-imidazol-2-ylmethylamino)propan-1-ol?
1-(4-fluorophenyl)-2-(1H-imidazol-2-ylmethylamino)propan-1-ol has a molecular weight of 249.29 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(1H-imidazol-2-ylmethylamino)propan-1-ol is sourced from PubChem (CID 111422085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).