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

C9H7BrN2O2 — CID 130848920

IUPAC2-(4-bromo-1H-benzimidazol-5-yl)acetic acid
SMILESO=C(O)Cc1ccc2[nH]cnc2c1Br
InChIInChI=1S/C9H7BrN2O2/c10-8-5(3-7(13)14)1-2-6-9(8)12-4-11-6/h1-2,4H,3H2,(H,11,12)(H,13,14)
InChIKeyWEPUYTHGUSOZOI-UHFFFAOYSA-N
MW255.07 g/mol
LogP1.95
Rot. Bonds2

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

2-(4-bromo-1H-benzimidazol-5-yl)acetic acid (PubChem CID 130848920) has the molecular formula C9H7BrN2O2 and a molecular weight of 255.07 g/mol. Its IUPAC name is 2-(4-bromo-1H-benzimidazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(4-bromo-1H-benzimidazol-5-yl)acetic acid
PubChem CID130848920
Molecular FormulaC9H7BrN2O2
Molecular Weight255.07 g/mol
Exact Mass253.97
IUPAC Name2-(4-bromo-1H-benzimidazol-5-yl)acetic acid
SMILESO=C(O)Cc1ccc2[nH]cnc2c1Br
InChIInChI=1S/C9H7BrN2O2/c10-8-5(3-7(13)14)1-2-6-9(8)12-4-11-6/h1-2,4H,3H2,(H,11,12)(H,13,14)
InChIKeyWEPUYTHGUSOZOI-UHFFFAOYSA-N
XLogP1.95
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1H-benzimidazol-5-yl)acetic acid?
The IUPAC name of 2-(4-bromo-1H-benzimidazol-5-yl)acetic acid (CID 130848920) is 2-(4-bromo-1H-benzimidazol-5-yl)acetic acid.
What is the SMILES notation for 2-(4-bromo-1H-benzimidazol-5-yl)acetic acid?
The canonical SMILES for 2-(4-bromo-1H-benzimidazol-5-yl)acetic acid is O=C(O)Cc1ccc2[nH]cnc2c1Br.
What is the InChIKey of 2-(4-bromo-1H-benzimidazol-5-yl)acetic acid?
The InChIKey is WEPUYTHGUSOZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2/c10-8-5(3-7(13)14)1-2-6-9(8)12-4-11-6/h1-2,4H,3H2,(H,11,12)(H,13,14).
What are the key properties of 2-(4-bromo-1H-benzimidazol-5-yl)acetic acid?
2-(4-bromo-1H-benzimidazol-5-yl)acetic acid has a molecular weight of 255.07 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1H-benzimidazol-5-yl)acetic acid is sourced from PubChem (CID 130848920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).