2-[5-fluoro-2-[1-[2-hydroxyethyl(methyl)amino]ethyl]benzimidazol-1-yl]ethanol

C14H20FN3O2 — CID 82311721

IUPAC2-[5-fluoro-2-[1-[2-hydroxyethyl(methyl)amino]ethyl]benzimidazol-1-yl]ethanol
SMILESCC(c1nc2cc(F)ccc2n1CCO)N(C)CCO
InChIInChI=1S/C14H20FN3O2/c1-10(17(2)5-7-19)14-16-12-9-11(15)3-4-13(12)18(14)6-8-20/h3-4,9-10,19-20H,5-8H2,1-2H3
InChIKeyOFPHSKAYWHLHGM-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.15
Rot. Bonds6

About 2-[5-fluoro-2-[1-[2-hydroxyethyl(methyl)amino]ethyl]benzimidazol-1-yl]ethanol

2-[5-fluoro-2-[1-[2-hydroxyethyl(methyl)amino]ethyl]benzimidazol-1-yl]ethanol (PubChem CID 82311721) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-[5-fluoro-2-[1-[2-hydroxyethyl(methyl)amino]ethyl]benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-fluoro-2-[1-[2-hydroxyethyl(methyl)amino]ethyl]benzimidazol-1-yl]ethanol
PubChem CID82311721
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name2-[5-fluoro-2-[1-[2-hydroxyethyl(methyl)amino]ethyl]benzimidazol-1-yl]ethanol
SMILESCC(c1nc2cc(F)ccc2n1CCO)N(C)CCO
InChIInChI=1S/C14H20FN3O2/c1-10(17(2)5-7-19)14-16-12-9-11(15)3-4-13(12)18(14)6-8-20/h3-4,9-10,19-20H,5-8H2,1-2H3
InChIKeyOFPHSKAYWHLHGM-UHFFFAOYSA-N
XLogP1.15
TPSA61.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[1-(dimethylamino)-2-methylpropyl]-5-fluorobenzimidazol-1-yl]ethanol
CID 82311768
4-[2-[1-(dimethylamino)ethyl]-5-fluorobenzimidazol-1-yl]butan-1-amine
CID 82310864
2-[5-fluoro-2-(1-pyrrolidin-1-ylpropyl)benzimidazol-1-yl]ethanol
CID 82311726
3-[2-[1-(diethylamino)ethyl]-5-fluorobenzimidazol-1-yl]propan-1-amine
CID 82310804
2-[2-[1-(dimethylamino)ethyl]-5-ethoxybenzimidazol-1-yl]ethanol
CID 82311699
3-[2-[1-[butyl(methyl)amino]ethyl]benzimidazol-1-yl]propan-1-ol
CID 82311878
2-[2-[1-[2-hydroxyethyl(methyl)amino]ethyl]benzimidazol-1-yl]ethanethioamide
CID 82311925
1-(1-butyl-5-fluorobenzimidazol-2-yl)ethanamine
CID 82332092
2-[1-[1-(1-aminopropan-2-yl)-5-methylbenzimidazol-2-yl]ethyl-methylamino]ethanol
CID 82311364
2-[5-fluoro-2-(2-sulfanylethyl)benzimidazol-1-yl]ethanol
CID 82332433
3-amino-3-(1-ethyl-5-fluorobenzimidazol-2-yl)propan-1-ol
CID 61230255
2-(1-bromopropyl)-5-fluoro-1-propylbenzimidazole
CID 82332408

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-[1-[2-hydroxyethyl(methyl)amino]ethyl]benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[5-fluoro-2-[1-[2-hydroxyethyl(methyl)amino]ethyl]benzimidazol-1-yl]ethanol (CID 82311721) is 2-[5-fluoro-2-[1-[2-hydroxyethyl(methyl)amino]ethyl]benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-fluoro-2-[1-[2-hydroxyethyl(methyl)amino]ethyl]benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[5-fluoro-2-[1-[2-hydroxyethyl(methyl)amino]ethyl]benzimidazol-1-yl]ethanol is CC(c1nc2cc(F)ccc2n1CCO)N(C)CCO.
What is the InChIKey of 2-[5-fluoro-2-[1-[2-hydroxyethyl(methyl)amino]ethyl]benzimidazol-1-yl]ethanol?
The InChIKey is OFPHSKAYWHLHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-10(17(2)5-7-19)14-16-12-9-11(15)3-4-13(12)18(14)6-8-20/h3-4,9-10,19-20H,5-8H2,1-2H3.
What are the key properties of 2-[5-fluoro-2-[1-[2-hydroxyethyl(methyl)amino]ethyl]benzimidazol-1-yl]ethanol?
2-[5-fluoro-2-[1-[2-hydroxyethyl(methyl)amino]ethyl]benzimidazol-1-yl]ethanol has a molecular weight of 281.33 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-[1-[2-hydroxyethyl(methyl)amino]ethyl]benzimidazol-1-yl]ethanol is sourced from PubChem (CID 82311721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).