2-(4-bromo-2-fluoro-1H-benzimidazol-5-yl)acetic acid

C9H6BrFN2O2 — CID 131285842

IUPAC2-(4-bromo-2-fluoro-1H-benzimidazol-5-yl)acetic acid
SMILESO=C(O)Cc1ccc2[nH]c(F)nc2c1Br
InChIInChI=1S/C9H6BrFN2O2/c10-7-4(3-6(14)15)1-2-5-8(7)13-9(11)12-5/h1-2H,3H2,(H,12,13)(H,14,15)
InChIKeyMLVYKRIJXUINTQ-UHFFFAOYSA-N
MW273.06 g/mol
LogP2.09
Rot. Bonds2

About 2-(4-bromo-2-fluoro-1H-benzimidazol-5-yl)acetic acid

2-(4-bromo-2-fluoro-1H-benzimidazol-5-yl)acetic acid (PubChem CID 131285842) has the molecular formula C9H6BrFN2O2 and a molecular weight of 273.06 g/mol. Its IUPAC name is 2-(4-bromo-2-fluoro-1H-benzimidazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(4-bromo-2-fluoro-1H-benzimidazol-5-yl)acetic acid
PubChem CID131285842
Molecular FormulaC9H6BrFN2O2
Molecular Weight273.06 g/mol
Exact Mass271.96
IUPAC Name2-(4-bromo-2-fluoro-1H-benzimidazol-5-yl)acetic acid
SMILESO=C(O)Cc1ccc2[nH]c(F)nc2c1Br
InChIInChI=1S/C9H6BrFN2O2/c10-7-4(3-6(14)15)1-2-5-8(7)13-9(11)12-5/h1-2H,3H2,(H,12,13)(H,14,15)
InChIKeyMLVYKRIJXUINTQ-UHFFFAOYSA-N
XLogP2.09
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.06
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-bromo-2-fluoro-1H-benzimidazole-5-carboxylate
CID 131389404
2-(4-bromo-1H-benzimidazol-5-yl)acetic acid
CID 130848920
2,4-dibromo-1H-benzimidazole-5-carboxylic acid
CID 131190484
methyl 2-(4-bromo-2-chloro-1H-benzimidazol-5-yl)acetate
CID 131400389
2-(2-bromo-6-fluoro-1H-benzimidazol-4-yl)acetic acid
CID 131501525
2-(4-fluoro-1H-benzimidazol-5-yl)acetic acid
CID 130882212
5-bromo-4-fluoro-1H-benzimidazole-2-carboxylic acid
CID 118391328
2-(2-bromo-4-cyano-3-fluorophenyl)acetic acid
CID 118999427
2-(3-bromo-4-fluoro-2-hydroxyphenyl)acetic acid
CID 83900309
2-amino-4-bromo-1H-benzimidazole-5-carbonyl chloride
CID 131092660
2-(2,6-difluoro-3-pyridinyl)acetic acid
CID 118998440
2-(2-bromo-3,4-dihydroxyphenyl)acetic acid
CID 54776284

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluoro-1H-benzimidazol-5-yl)acetic acid?
The IUPAC name of 2-(4-bromo-2-fluoro-1H-benzimidazol-5-yl)acetic acid (CID 131285842) is 2-(4-bromo-2-fluoro-1H-benzimidazol-5-yl)acetic acid.
What is the SMILES notation for 2-(4-bromo-2-fluoro-1H-benzimidazol-5-yl)acetic acid?
The canonical SMILES for 2-(4-bromo-2-fluoro-1H-benzimidazol-5-yl)acetic acid is O=C(O)Cc1ccc2[nH]c(F)nc2c1Br.
What is the InChIKey of 2-(4-bromo-2-fluoro-1H-benzimidazol-5-yl)acetic acid?
The InChIKey is MLVYKRIJXUINTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2O2/c10-7-4(3-6(14)15)1-2-5-8(7)13-9(11)12-5/h1-2H,3H2,(H,12,13)(H,14,15).
What are the key properties of 2-(4-bromo-2-fluoro-1H-benzimidazol-5-yl)acetic acid?
2-(4-bromo-2-fluoro-1H-benzimidazol-5-yl)acetic acid has a molecular weight of 273.06 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluoro-1H-benzimidazol-5-yl)acetic acid is sourced from PubChem (CID 131285842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).