1-(3-bromo-2-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone

C16H12BrFN2O — CID 107957238

IUPAC1-(3-bromo-2-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
SMILESCn1c(CC(=O)c2cccc(Br)c2F)nc2ccccc21
InChIInChI=1S/C16H12BrFN2O/c1-20-13-8-3-2-7-12(13)19-15(20)9-14(21)10-5-4-6-11(17)16(10)18/h2-8H,9H2,1H3
InChIKeyJSUOPHSOYBTRAJ-UHFFFAOYSA-N
MW347.19 g/mol
LogP3.90
Rot. Bonds3

About 1-(3-bromo-2-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone

1-(3-bromo-2-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone (PubChem CID 107957238) has the molecular formula C16H12BrFN2O and a molecular weight of 347.19 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
PubChem CID107957238
Molecular FormulaC16H12BrFN2O
Molecular Weight347.19 g/mol
Exact Mass346.01
IUPAC Name1-(3-bromo-2-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
SMILESCn1c(CC(=O)c2cccc(Br)c2F)nc2ccccc21
InChIInChI=1S/C16H12BrFN2O/c1-20-13-8-3-2-7-12(13)19-15(20)9-14(21)10-5-4-6-11(17)16(10)18/h2-8H,9H2,1H3
InChIKeyJSUOPHSOYBTRAJ-UHFFFAOYSA-N
XLogP3.90
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.19
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 79755499
1-(2-bromophenyl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 79755660
2-(1-methylbenzimidazol-2-yl)-1-(6-methyl-2-pyridinyl)ethanone
CID 79754091
2-(1-methylbenzimidazol-2-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 115782583
1-(3-aminophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 116548567
1-(4-bromophenyl)-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 79755509
2-(1-methylbenzimidazol-2-yl)-1-(3-methylimidazol-4-yl)ethanone
CID 82896028
2-fluoro-6-[(1-methylbenzimidazol-2-yl)methyl]benzoic acid
CID 114560340
2-bromo-6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 107598333
2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007726
3-(2-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
CID 60528463
1-(4-bromo-1-methylbenzimidazol-2-yl)propan-2-one
CID 83866935

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone (CID 107957238) is 1-(3-bromo-2-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone is Cn1c(CC(=O)c2cccc(Br)c2F)nc2ccccc21.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone?
The InChIKey is JSUOPHSOYBTRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2O/c1-20-13-8-3-2-7-12(13)19-15(20)9-14(21)10-5-4-6-11(17)16(10)18/h2-8H,9H2,1H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone?
1-(3-bromo-2-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone has a molecular weight of 347.19 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone is sourced from PubChem (CID 107957238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).