2-(benzimidazol-1-yl)-1-(2,4-difluorophenyl)ethanone

C15H10F2N2O — CID 43612592

IUPAC2-(benzimidazol-1-yl)-1-(2,4-difluorophenyl)ethanone
SMILESO=C(Cn1cnc2ccccc21)c1ccc(F)cc1F
InChIInChI=1S/C15H10F2N2O/c16-10-5-6-11(12(17)7-10)15(20)8-19-9-18-13-3-1-2-4-14(13)19/h1-7,9H,8H2
InChIKeyFMABDBRNOBXDOO-UHFFFAOYSA-N
MW272.25 g/mol
LogP3.20
Rot. Bonds3

About 2-(benzimidazol-1-yl)-1-(2,4-difluorophenyl)ethanone

2-(benzimidazol-1-yl)-1-(2,4-difluorophenyl)ethanone (PubChem CID 43612592) has the molecular formula C15H10F2N2O and a molecular weight of 272.25 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-1-(2,4-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-1-(2,4-difluorophenyl)ethanone
PubChem CID43612592
Molecular FormulaC15H10F2N2O
Molecular Weight272.25 g/mol
Exact Mass272.08
IUPAC Name2-(benzimidazol-1-yl)-1-(2,4-difluorophenyl)ethanone
SMILESO=C(Cn1cnc2ccccc21)c1ccc(F)cc1F
InChIInChI=1S/C15H10F2N2O/c16-10-5-6-11(12(17)7-10)15(20)8-19-9-18-13-3-1-2-4-14(13)19/h1-7,9H,8H2
InChIKeyFMABDBRNOBXDOO-UHFFFAOYSA-N
XLogP3.20
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 103397259
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2-(benzimidazol-1-yl)-1-(5-bromo-2-fluorophenyl)ethanone
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CID 71357542
2-(benzimidazol-1-yl)-N-(3,4-difluorophenyl)acetamide
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CID 43218269
1-(2,4-difluorophenyl)-2-pyrazol-1-ylethanone
CID 21253998
1-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylpyrimidin-2-one
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3-[3-(benzimidazol-1-yl)propyl]-1-[(2,4-difluorophenyl)methyl]-1-methylurea
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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-1-(2,4-difluorophenyl)ethanone?
The IUPAC name of 2-(benzimidazol-1-yl)-1-(2,4-difluorophenyl)ethanone (CID 43612592) is 2-(benzimidazol-1-yl)-1-(2,4-difluorophenyl)ethanone.
What is the SMILES notation for 2-(benzimidazol-1-yl)-1-(2,4-difluorophenyl)ethanone?
The canonical SMILES for 2-(benzimidazol-1-yl)-1-(2,4-difluorophenyl)ethanone is O=C(Cn1cnc2ccccc21)c1ccc(F)cc1F.
What is the InChIKey of 2-(benzimidazol-1-yl)-1-(2,4-difluorophenyl)ethanone?
The InChIKey is FMABDBRNOBXDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O/c16-10-5-6-11(12(17)7-10)15(20)8-19-9-18-13-3-1-2-4-14(13)19/h1-7,9H,8H2.
What are the key properties of 2-(benzimidazol-1-yl)-1-(2,4-difluorophenyl)ethanone?
2-(benzimidazol-1-yl)-1-(2,4-difluorophenyl)ethanone has a molecular weight of 272.25 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-1-(2,4-difluorophenyl)ethanone is sourced from PubChem (CID 43612592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).