2-(benzimidazol-1-yl)-1-(5-bromo-2-fluorophenyl)ethanone

C15H10BrFN2O — CID 105116406

IUPAC2-(benzimidazol-1-yl)-1-(5-bromo-2-fluorophenyl)ethanone
SMILESO=C(Cn1cnc2ccccc21)c1cc(Br)ccc1F
InChIInChI=1S/C15H10BrFN2O/c16-10-5-6-12(17)11(7-10)15(20)8-19-9-18-13-3-1-2-4-14(13)19/h1-7,9H,8H2
InChIKeyKLDKJZRLGJPBGP-UHFFFAOYSA-N
MW333.16 g/mol
LogP3.82
Rot. Bonds3

About 2-(benzimidazol-1-yl)-1-(5-bromo-2-fluorophenyl)ethanone

2-(benzimidazol-1-yl)-1-(5-bromo-2-fluorophenyl)ethanone (PubChem CID 105116406) has the molecular formula C15H10BrFN2O and a molecular weight of 333.16 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-1-(5-bromo-2-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-1-(5-bromo-2-fluorophenyl)ethanone
PubChem CID105116406
Molecular FormulaC15H10BrFN2O
Molecular Weight333.16 g/mol
Exact Mass332.00
IUPAC Name2-(benzimidazol-1-yl)-1-(5-bromo-2-fluorophenyl)ethanone
SMILESO=C(Cn1cnc2ccccc21)c1cc(Br)ccc1F
InChIInChI=1S/C15H10BrFN2O/c16-10-5-6-12(17)11(7-10)15(20)8-19-9-18-13-3-1-2-4-14(13)19/h1-7,9H,8H2
InChIKeyKLDKJZRLGJPBGP-UHFFFAOYSA-N
XLogP3.82
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzimidazol-1-yl)-1-(2,4-difluorophenyl)ethanone
CID 43612592
2-(benzimidazol-1-yl)-1-(2-fluoro-4-methoxyphenyl)ethanone
CID 103397259
6-bromo-3-[2-(2-fluorophenyl)-2-oxoethyl]quinazolin-4-one
CID 7488169
1-(benzimidazol-1-yl)-3-(2,4-difluorophenyl)propan-2-one
CID 105085102
N-(benzimidazol-1-ylmethyl)-2-fluorobenzamide
CID 71357542
2-(benzimidazol-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 3578169
1-(5-bromo-2-fluorophenyl)-2-(1-methylindazol-3-yl)ethanone
CID 114894285
2-(benzimidazol-1-yl)-1-(3-bromo-4-methoxyphenyl)ethanone
CID 43612589
6-bromo-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]quinazolin-4-one
CID 3290687
2-(benzimidazol-1-yl)-1-(6-methyl-3-pyridinyl)ethanone
CID 105098775
2-(benzimidazol-1-yl)-5-bromobenzamide
CID 114896304
1-(5-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-one
CID 79953274

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-1-(5-bromo-2-fluorophenyl)ethanone?
The IUPAC name of 2-(benzimidazol-1-yl)-1-(5-bromo-2-fluorophenyl)ethanone (CID 105116406) is 2-(benzimidazol-1-yl)-1-(5-bromo-2-fluorophenyl)ethanone.
What is the SMILES notation for 2-(benzimidazol-1-yl)-1-(5-bromo-2-fluorophenyl)ethanone?
The canonical SMILES for 2-(benzimidazol-1-yl)-1-(5-bromo-2-fluorophenyl)ethanone is O=C(Cn1cnc2ccccc21)c1cc(Br)ccc1F.
What is the InChIKey of 2-(benzimidazol-1-yl)-1-(5-bromo-2-fluorophenyl)ethanone?
The InChIKey is KLDKJZRLGJPBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O/c16-10-5-6-12(17)11(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-(5-bromo-2-fluorophenyl)ethanone?
2-(benzimidazol-1-yl)-1-(5-bromo-2-fluorophenyl)ethanone has a molecular weight of 333.16 g/mol, XLogP of 3.82, 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-(5-bromo-2-fluorophenyl)ethanone is sourced from PubChem (CID 105116406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).