1-(6-fluoro-1H-benzimidazol-2-yl)ethanol

C9H9FN2O — CID 17010542

IUPAC1-(6-fluoro-1H-benzimidazol-2-yl)ethanol
SMILESCC(O)c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C9H9FN2O/c1-5(13)9-11-7-3-2-6(10)4-8(7)12-9/h2-5,13H,1H3,(H,11,12)
InChIKeyULJPNPBJWAUTHU-UHFFFAOYSA-N
MW180.18 g/mol
LogP1.76
Rot. Bonds1

About 1-(6-fluoro-1H-benzimidazol-2-yl)ethanol

1-(6-fluoro-1H-benzimidazol-2-yl)ethanol (PubChem CID 17010542) has the molecular formula C9H9FN2O and a molecular weight of 180.18 g/mol. Its IUPAC name is 1-(6-fluoro-1H-benzimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(6-fluoro-1H-benzimidazol-2-yl)ethanol
PubChem CID17010542
Molecular FormulaC9H9FN2O
Molecular Weight180.18 g/mol
Exact Mass180.07
IUPAC Name1-(6-fluoro-1H-benzimidazol-2-yl)ethanol
SMILESCC(O)c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C9H9FN2O/c1-5(13)9-11-7-3-2-6(10)4-8(7)12-9/h2-5,13H,1H3,(H,11,12)
InChIKeyULJPNPBJWAUTHU-UHFFFAOYSA-N
XLogP1.76
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S)-1,2-bis(6-fluoro-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 6927588
(1R,2R,3R,4R)-1-(6-fluoro-1H-benzimidazol-2-yl)pentane-1,2,3,4-tetrol
CID 118128954
(1R)-1-(6-amino-1H-benzimidazol-2-yl)ethanol
CID 41455600
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanol
CID 604588
(1S)-1-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]ethanol
CID 97454007
2-[1-(azetidin-3-yl)ethyl]-6-fluoro-1H-benzimidazole
CID 116682100
(2R,3R)-1-(6-fluoro-1H-benzimidazol-2-yl)butane-1,2,3,4-tetrol
CID 118151410
(1S,2R,3R)-1-(6-fluoro-1H-benzimidazol-2-yl)butane-1,2,3,4-tetrol
CID 118128981
2-[(1R)-1-hydroxyethyl]-3H-benzimidazole-5-carboxylic acid
CID 832002
(1S)-1-(1H-benzimidazol-2-yl)ethanol
CID 139074850
(1S)-1-(6-methylsulfonyl-1H-benzimidazol-2-yl)ethanol
CID 66264432
[2-[(1S)-1-hydroxyethyl]-3H-benzimidazol-5-yl]-phenylmethanone
CID 66263156

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1H-benzimidazol-2-yl)ethanol?
The IUPAC name of 1-(6-fluoro-1H-benzimidazol-2-yl)ethanol (CID 17010542) is 1-(6-fluoro-1H-benzimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(6-fluoro-1H-benzimidazol-2-yl)ethanol?
The canonical SMILES for 1-(6-fluoro-1H-benzimidazol-2-yl)ethanol is CC(O)c1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 1-(6-fluoro-1H-benzimidazol-2-yl)ethanol?
The InChIKey is ULJPNPBJWAUTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O/c1-5(13)9-11-7-3-2-6(10)4-8(7)12-9/h2-5,13H,1H3,(H,11,12).
What are the key properties of 1-(6-fluoro-1H-benzimidazol-2-yl)ethanol?
1-(6-fluoro-1H-benzimidazol-2-yl)ethanol has a molecular weight of 180.18 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1H-benzimidazol-2-yl)ethanol is sourced from PubChem (CID 17010542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).