4-(benzimidazol-1-yl)-1-(4-fluorophenyl)butan-1-one

C17H15FN2O — CID 43218269

IUPAC4-(benzimidazol-1-yl)-1-(4-fluorophenyl)butan-1-one
SMILESO=C(CCCn1cnc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C17H15FN2O/c18-14-9-7-13(8-10-14)17(21)6-3-11-20-12-19-15-4-1-2-5-16(15)20/h1-2,4-5,7-10,12H,3,6,11H2
InChIKeyTXOJDOSOPQJZSL-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.84
Rot. Bonds5

About 4-(benzimidazol-1-yl)-1-(4-fluorophenyl)butan-1-one

4-(benzimidazol-1-yl)-1-(4-fluorophenyl)butan-1-one (PubChem CID 43218269) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-1-(4-fluorophenyl)butan-1-one.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-1-(4-fluorophenyl)butan-1-one
PubChem CID43218269
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name4-(benzimidazol-1-yl)-1-(4-fluorophenyl)butan-1-one
SMILESO=C(CCCn1cnc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C17H15FN2O/c18-14-9-7-13(8-10-14)17(21)6-3-11-20-12-19-15-4-1-2-5-16(15)20/h1-2,4-5,7-10,12H,3,6,11H2
InChIKeyTXOJDOSOPQJZSL-UHFFFAOYSA-N
XLogP3.84
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[3-(benzimidazol-1-yl)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 54135393
N-[3-(benzimidazol-1-yl)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 55407936
N-[2-(benzimidazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 47929228
3-(benzimidazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 134012463
3-(benzimidazol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 36842954
6-(benzimidazol-1-yl)hexane-1-sulfonic acid
CID 18415223
1-(6-chlorohexyl)benzimidazole
CID 62228178
3-[3-(benzimidazol-1-yl)propyl]-1-[(4-fluorophenyl)methyl]-1-methylurea
CID 51274415
benzyl 4-(benzimidazol-1-yl)butanoate
CID 154459478
cyclohexyl 4-(benzimidazol-1-yl)butanoate
CID 58743722
3-(5,6-difluorobenzimidazol-1-yl)-1-phenylpropan-1-one
CID 116691892
N-[3-(benzimidazol-1-yl)propyl]-2,6-difluorobenzamide
CID 86912487

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-1-(4-fluorophenyl)butan-1-one?
The IUPAC name of 4-(benzimidazol-1-yl)-1-(4-fluorophenyl)butan-1-one (CID 43218269) is 4-(benzimidazol-1-yl)-1-(4-fluorophenyl)butan-1-one.
What is the SMILES notation for 4-(benzimidazol-1-yl)-1-(4-fluorophenyl)butan-1-one?
The canonical SMILES for 4-(benzimidazol-1-yl)-1-(4-fluorophenyl)butan-1-one is O=C(CCCn1cnc2ccccc21)c1ccc(F)cc1.
What is the InChIKey of 4-(benzimidazol-1-yl)-1-(4-fluorophenyl)butan-1-one?
The InChIKey is TXOJDOSOPQJZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c18-14-9-7-13(8-10-14)17(21)6-3-11-20-12-19-15-4-1-2-5-16(15)20/h1-2,4-5,7-10,12H,3,6,11H2.
What are the key properties of 4-(benzimidazol-1-yl)-1-(4-fluorophenyl)butan-1-one?
4-(benzimidazol-1-yl)-1-(4-fluorophenyl)butan-1-one has a molecular weight of 282.32 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-1-(4-fluorophenyl)butan-1-one is sourced from PubChem (CID 43218269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).