1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazole-4-carboxylic acid

C15H10BrFN2O2 — CID 107593291

IUPAC1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazole-4-carboxylic acid
SMILESCc1cc(F)c(Br)cc1-n1cnc2c(C(=O)O)cccc21
InChIInChI=1S/C15H10BrFN2O2/c1-8-5-11(17)10(16)6-13(8)19-7-18-14-9(15(20)21)3-2-4-12(14)19/h2-7H,1H3,(H,20,21)
InChIKeyVKONGRITUIOZBQ-UHFFFAOYSA-N
MW349.16 g/mol
LogP3.93
Rot. Bonds2

About 1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazole-4-carboxylic acid

1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazole-4-carboxylic acid (PubChem CID 107593291) has the molecular formula C15H10BrFN2O2 and a molecular weight of 349.16 g/mol. Its IUPAC name is 1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazole-4-carboxylic acid
PubChem CID107593291
Molecular FormulaC15H10BrFN2O2
Molecular Weight349.16 g/mol
Exact Mass347.99
IUPAC Name1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazole-4-carboxylic acid
SMILESCc1cc(F)c(Br)cc1-n1cnc2c(C(=O)O)cccc21
InChIInChI=1S/C15H10BrFN2O2/c1-8-5-11(17)10(16)6-13(8)19-7-18-14-9(15(20)21)3-2-4-12(14)19/h2-7H,1H3,(H,20,21)
InChIKeyVKONGRITUIOZBQ-UHFFFAOYSA-N
XLogP3.93
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.16
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)benzimidazole-4-carboxylic acid
CID 115542827
1-(2-cyano-3-methylphenyl)benzimidazole-4-carboxylic acid
CID 107800016
1-(3-bromo-5-methoxyphenyl)benzimidazole-4-carboxylic acid
CID 82860467
1-(5-bromo-4-fluoro-2-methylphenyl)-4-methylpyrazole-3-carboxylic acid
CID 107592971
1-[3-(dimethylamino)phenyl]benzimidazole-4-carboxylic acid
CID 115543982
1-(2,2-difluoroethyl)benzimidazole-4-carboxylic acid
CID 115543983
1-[5-(benzimidazol-1-yl)-2-phenylphenyl]benzimidazole-4-carboxylic acid
CID 141290744
1-(4-ethylphenyl)benzimidazole-4-carboxylic acid
CID 115542688
2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;platinum
CID 91868096
2-(5,6-dimethylbenzimidazol-1-yl)-3-fluorobenzoic acid
CID 62649956
3-(benzimidazol-1-yl)-2-methylbenzoic acid
CID 70364781
1-(3-bromo-2-methylphenyl)-2-methylbenzimidazole-4-carboxylic acid
CID 107638219

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazole-4-carboxylic acid?
The IUPAC name of 1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazole-4-carboxylic acid (CID 107593291) is 1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazole-4-carboxylic acid.
What is the SMILES notation for 1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazole-4-carboxylic acid?
The canonical SMILES for 1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazole-4-carboxylic acid is Cc1cc(F)c(Br)cc1-n1cnc2c(C(=O)O)cccc21.
What is the InChIKey of 1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazole-4-carboxylic acid?
The InChIKey is VKONGRITUIOZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O2/c1-8-5-11(17)10(16)6-13(8)19-7-18-14-9(15(20)21)3-2-4-12(14)19/h2-7H,1H3,(H,20,21).
What are the key properties of 1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazole-4-carboxylic acid?
1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazole-4-carboxylic acid has a molecular weight of 349.16 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazole-4-carboxylic acid is sourced from PubChem (CID 107593291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).