4-(5-bromobenzimidazol-1-yl)benzoic acid

C14H9BrN2O2 — CID 167161055

IUPAC4-(5-bromobenzimidazol-1-yl)benzoic acid
SMILESO=C(O)c1ccc(-n2cnc3cc(Br)ccc32)cc1
InChIInChI=1S/C14H9BrN2O2/c15-10-3-6-13-12(7-10)16-8-17(13)11-4-1-9(2-5-11)14(18)19/h1-8H,(H,18,19)
InChIKeyGBQLPWJVVOHUIW-UHFFFAOYSA-N
MW317.14 g/mol
LogP3.49
Rot. Bonds2

About 4-(5-bromobenzimidazol-1-yl)benzoic acid

4-(5-bromobenzimidazol-1-yl)benzoic acid (PubChem CID 167161055) has the molecular formula C14H9BrN2O2 and a molecular weight of 317.14 g/mol. Its IUPAC name is 4-(5-bromobenzimidazol-1-yl)benzoic acid.

Molecular Properties

Compound Name4-(5-bromobenzimidazol-1-yl)benzoic acid
PubChem CID167161055
Molecular FormulaC14H9BrN2O2
Molecular Weight317.14 g/mol
Exact Mass315.98
IUPAC Name4-(5-bromobenzimidazol-1-yl)benzoic acid
SMILESO=C(O)c1ccc(-n2cnc3cc(Br)ccc32)cc1
InChIInChI=1S/C14H9BrN2O2/c15-10-3-6-13-12(7-10)16-8-17(13)11-4-1-9(2-5-11)14(18)19/h1-8H,(H,18,19)
InChIKeyGBQLPWJVVOHUIW-UHFFFAOYSA-N
XLogP3.49
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromobenzimidazol-1-yl)benzoic acid?
The IUPAC name of 4-(5-bromobenzimidazol-1-yl)benzoic acid (CID 167161055) is 4-(5-bromobenzimidazol-1-yl)benzoic acid.
What is the SMILES notation for 4-(5-bromobenzimidazol-1-yl)benzoic acid?
The canonical SMILES for 4-(5-bromobenzimidazol-1-yl)benzoic acid is O=C(O)c1ccc(-n2cnc3cc(Br)ccc32)cc1.
What is the InChIKey of 4-(5-bromobenzimidazol-1-yl)benzoic acid?
The InChIKey is GBQLPWJVVOHUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O2/c15-10-3-6-13-12(7-10)16-8-17(13)11-4-1-9(2-5-11)14(18)19/h1-8H,(H,18,19).
What are the key properties of 4-(5-bromobenzimidazol-1-yl)benzoic acid?
4-(5-bromobenzimidazol-1-yl)benzoic acid has a molecular weight of 317.14 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromobenzimidazol-1-yl)benzoic acid is sourced from PubChem (CID 167161055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).