2-(benzimidazol-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol

C16H15FN2O2 — CID 47555657

IUPAC2-(benzimidazol-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)Cn2cnc3ccccc32)cc1F
InChIInChI=1S/C16H15FN2O2/c1-21-16-7-6-11(8-12(16)17)15(20)9-19-10-18-13-4-2-3-5-14(13)19/h2-8,10,15,20H,9H2,1H3
InChIKeyYKRXYMSLYNSANB-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.92
Rot. Bonds4

About 2-(benzimidazol-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol

2-(benzimidazol-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol (PubChem CID 47555657) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol
PubChem CID47555657
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name2-(benzimidazol-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)Cn2cnc3ccccc32)cc1F
InChIInChI=1S/C16H15FN2O2/c1-21-16-7-6-11(8-12(16)17)15(20)9-19-10-18-13-4-2-3-5-14(13)19/h2-8,10,15,20H,9H2,1H3
InChIKeyYKRXYMSLYNSANB-UHFFFAOYSA-N
XLogP2.92
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-2-(2-methylimidazol-1-yl)ethanol
CID 110902796
(2S)-1-(benzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 879495
2-(2-ethylimidazol-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 109411192
2-(benzimidazol-1-yl)-1-(3-ethylphenyl)ethanol
CID 105117176
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanol
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(1S)-1-(3-fluoro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol
CID 94264435
1-(benzimidazol-1-yl)propan-2-ol
CID 22504258
2-(2-fluoro-6-methoxyphenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 109416014
(1R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 83000611
1-(3-fluoro-4-methoxyphenyl)-3-methylidenepentan-1-ol
CID 115817551
2-(5,6-difluorobenzimidazol-1-yl)-1-(2,5-dimethoxyphenyl)ethanol
CID 110897794
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 55795820

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol?
The IUPAC name of 2-(benzimidazol-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol (CID 47555657) is 2-(benzimidazol-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(benzimidazol-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol?
The canonical SMILES for 2-(benzimidazol-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol is COc1ccc(C(O)Cn2cnc3ccccc32)cc1F.
What is the InChIKey of 2-(benzimidazol-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol?
The InChIKey is YKRXYMSLYNSANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-21-16-7-6-11(8-12(16)17)15(20)9-19-10-18-13-4-2-3-5-14(13)19/h2-8,10,15,20H,9H2,1H3.
What are the key properties of 2-(benzimidazol-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol?
2-(benzimidazol-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol has a molecular weight of 286.31 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol is sourced from PubChem (CID 47555657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).