2-(benzimidazol-1-yl)-1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)ethanol

C26H20FN3O — CID 14988715

IUPAC2-(benzimidazol-1-yl)-1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)ethanol
SMILESOC(Cn1cnc2ccccc21)(c1ccc(F)cc1)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C26H20FN3O/c27-23-11-9-22(10-12-23)26(31,17-30-18-29-24-3-1-2-4-25(24)30)21-7-5-19(6-8-21)20-13-15-28-16-14-20/h1-16,18,31H,17H2
InChIKeyXQJUXZOQLLZSGL-UHFFFAOYSA-N
MW409.46 g/mol
LogP5.17
Rot. Bonds5

About 2-(benzimidazol-1-yl)-1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)ethanol

2-(benzimidazol-1-yl)-1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)ethanol (PubChem CID 14988715) has the molecular formula C26H20FN3O and a molecular weight of 409.46 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)ethanol.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)ethanol
PubChem CID14988715
Molecular FormulaC26H20FN3O
Molecular Weight409.46 g/mol
Exact Mass409.16
IUPAC Name2-(benzimidazol-1-yl)-1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)ethanol
SMILESOC(Cn1cnc2ccccc21)(c1ccc(F)cc1)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C26H20FN3O/c27-23-11-9-22(10-12-23)26(31,17-30-18-29-24-3-1-2-4-25(24)30)21-7-5-19(6-8-21)20-13-15-28-16-14-20/h1-16,18,31H,17H2
InChIKeyXQJUXZOQLLZSGL-UHFFFAOYSA-N
XLogP5.17
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.46
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Cyp11B2-IN-1
CID 56645363
3-[8-Amino-1-[4-(1-hydroxy-1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
CID 44468332
2-(3-(4-Fluoro-3-(pyridin-3-yl)phenyl)imidazo[1,2-a]pyrimidin-7-yl)propan-2-ol
CID 9906309
2'-Fluoro-5'-[7-(1-hydroxy-1-methylethyl)imidazo[1,2-alpha]pyrimidin-3-yl]biphenyl-2-carbonitrile
CID 9969492
2-(3-(4-Fluoro-3-(pyridin-4-yl)phenyl)imidazo[1,2-a]pyrimidin-7-yl)propan-2-ol
CID 10269219
2-(3-(4-Fluoro-3-(3-fluoropyridin-2-yl)phenyl)imidazo[1,2-a]pyrimidin-7-yl)propan-2-ol
CID 10270246
2-(3-(4-Fluoro-3-(5-fluoropyridin-2-yl)phenyl)imidazo[1,2-a]pyrimidin-7-yl)propan-2-ol
CID 10292321
4-(2-Fluoro-5-(7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyrimidin-3-yl)phenyl)nicotinonitrile
CID 44409020
2-[5-(1-Cyclopropyl-5,6-difluoro-1H-benzimidazol-2-yl)pyridin-3-yl]propan-2-ol
CID 56645568
4-[1-Hydroxy-1-(3-methyl-3H-imidazol-4-yl)-3-(6-methyl-pyridin-3-yl)-prop-2-ynyl]-2-naphthalen-1-yl-benzonitrile
CID 44459321
4-[3-(4-Cyano-phenyl)-1-hydroxy-1-(3-methyl-3H-imidazol-4-yl)-prop-2-ynyl]-2-quinolin-8-yl-benzonitrile
CID 44459800
(4-Methylphenyl)-(1-propylbenzimidazol-2-yl)methanol
CID 2881527

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)ethanol?
The IUPAC name of 2-(benzimidazol-1-yl)-1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)ethanol (CID 14988715) is 2-(benzimidazol-1-yl)-1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)ethanol.
What is the SMILES notation for 2-(benzimidazol-1-yl)-1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)ethanol?
The canonical SMILES for 2-(benzimidazol-1-yl)-1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)ethanol is OC(Cn1cnc2ccccc21)(c1ccc(F)cc1)c1ccc(-c2ccncc2)cc1.
What is the InChIKey of 2-(benzimidazol-1-yl)-1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)ethanol?
The InChIKey is XQJUXZOQLLZSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O/c27-23-11-9-22(10-12-23)26(31,17-30-18-29-24-3-1-2-4-25(24)30)21-7-5-19(6-8-21)20-13-15-28-16-14-20/h1-16,18,31H,17H2.
What are the key properties of 2-(benzimidazol-1-yl)-1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)ethanol?
2-(benzimidazol-1-yl)-1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)ethanol has a molecular weight of 409.46 g/mol, XLogP of 5.17, 5 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-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)ethanol is sourced from PubChem (CID 14988715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).