1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]ethanol

C16H15FN2O — CID 42904099

IUPAC1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]ethanol
SMILESCC(O)c1nc2ccccc2n1Cc1cccc(F)c1
InChIInChI=1S/C16H15FN2O/c1-11(20)16-18-14-7-2-3-8-15(14)19(16)10-12-5-4-6-13(17)9-12/h2-9,11,20H,10H2,1H3
InChIKeyHUQSNYOSIACIEI-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.28
Rot. Bonds3

About 1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]ethanol

1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]ethanol (PubChem CID 42904099) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]ethanol
PubChem CID42904099
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]ethanol
SMILESCC(O)c1nc2ccccc2n1Cc1cccc(F)c1
InChIInChI=1S/C16H15FN2O/c1-11(20)16-18-14-7-2-3-8-15(14)19(16)10-12-5-4-6-13(17)9-12/h2-9,11,20H,10H2,1H3
InChIKeyHUQSNYOSIACIEI-UHFFFAOYSA-N
XLogP3.28
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine
CID 54757557
(1S)-1-(1-benzylbenzimidazol-2-yl)ethanol
CID 764782
1-[1-[(3,4-dimethoxyphenyl)methyl]benzimidazol-2-yl]ethanol
CID 3835157
(1S)-1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethanol
CID 950441
(1R)-1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethanol
CID 962322
6-chloro-2-(1-chloroethyl)-1-[(3-fluorophenyl)methyl]benzimidazole
CID 115470870
1-[(3-fluorophenyl)methyl]-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 139189657
3-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzoic acid
CID 82144550
1-benzyl-2-[1-(1-benzylbenzimidazol-2-yl)ethyl]benzimidazole
CID 141183373
(S)-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]-phenylmethanol
CID 972889
(1R)-1-[1-[(4-nitrophenyl)methyl]benzimidazol-2-yl]ethanol
CID 673173
1-[(3-bromophenyl)methyl]-2-(1-chloroethyl)benzimidazole
CID 63545927

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]ethanol?
The IUPAC name of 1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]ethanol (CID 42904099) is 1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]ethanol.
What is the SMILES notation for 1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]ethanol?
The canonical SMILES for 1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]ethanol is CC(O)c1nc2ccccc2n1Cc1cccc(F)c1.
What is the InChIKey of 1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]ethanol?
The InChIKey is HUQSNYOSIACIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-11(20)16-18-14-7-2-3-8-15(14)19(16)10-12-5-4-6-13(17)9-12/h2-9,11,20H,10H2,1H3.
What are the key properties of 1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]ethanol?
1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]ethanol has a molecular weight of 270.31 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]ethanol is sourced from PubChem (CID 42904099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).