2-[7-(bromomethyl)-3H-benzimidazol-4-yl]-2-hydroxyacetic acid

C10H9BrN2O3 — CID 131355216

IUPAC2-[7-(bromomethyl)-3H-benzimidazol-4-yl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(CBr)c2nc[nH]c12
InChIInChI=1S/C10H9BrN2O3/c11-3-5-1-2-6(9(14)10(15)16)8-7(5)12-4-13-8/h1-2,4,9,14H,3H2,(H,12,13)(H,15,16)
InChIKeyKUTPYILVEFOYCX-UHFFFAOYSA-N
MW285.10 g/mol
LogP1.58
Rot. Bonds3

About 2-[7-(bromomethyl)-3H-benzimidazol-4-yl]-2-hydroxyacetic acid

2-[7-(bromomethyl)-3H-benzimidazol-4-yl]-2-hydroxyacetic acid (PubChem CID 131355216) has the molecular formula C10H9BrN2O3 and a molecular weight of 285.10 g/mol. Its IUPAC name is 2-[7-(bromomethyl)-3H-benzimidazol-4-yl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[7-(bromomethyl)-3H-benzimidazol-4-yl]-2-hydroxyacetic acid
PubChem CID131355216
Molecular FormulaC10H9BrN2O3
Molecular Weight285.10 g/mol
Exact Mass283.98
IUPAC Name2-[7-(bromomethyl)-3H-benzimidazol-4-yl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(CBr)c2nc[nH]c12
InChIInChI=1S/C10H9BrN2O3/c11-3-5-1-2-6(9(14)10(15)16)8-7(5)12-4-13-8/h1-2,4,9,14H,3H2,(H,12,13)(H,15,16)
InChIKeyKUTPYILVEFOYCX-UHFFFAOYSA-N
XLogP1.58
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.10
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-[7-(bromomethyl)-3H-benzimidazol-4-yl]-2-hydroxyacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(bromomethyl)-3H-benzimidazole-4-carbonyl chloride
CID 130770630
2-[7-(chloromethyl)-1H-benzimidazol-4-yl]acetic acid
CID 131449389
2-(7-methoxy-1H-benzimidazol-4-yl)acetic acid
CID 131407690
7-(hydroxymethyl)-3H-benzimidazole-4-carbonyl chloride
CID 130780335
2-[2-bromo-4-(bromomethyl)phenyl]-2-hydroxyacetic acid
CID 118990978
2-[2-(bromomethyl)-5-(1-bromo-2-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 134656336
2-(4-bromo-1H-benzimidazol-5-yl)acetic acid
CID 130848920
2-[2-(bromomethyl)-4-(3-chloropropanoyl)phenyl]-2-hydroxyacetic acid
CID 134656322
3-[2-(bromomethyl)-4-[carboxy(hydroxy)methyl]phenyl]propanoic acid
CID 134656260
2-[3-(bromomethyl)-2-(2-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 135741065
2-[5-(bromomethyl)-2-(2-cyanoethyl)phenyl]-2-hydroxyacetic acid
CID 135740690
2-[3-(bromomethyl)-2-(2-bromopropanoyl)phenyl]-2-hydroxyacetic acid
CID 134655912

Frequently Asked Questions

What is the IUPAC name of 2-[7-(bromomethyl)-3H-benzimidazol-4-yl]-2-hydroxyacetic acid?
The IUPAC name of 2-[7-(bromomethyl)-3H-benzimidazol-4-yl]-2-hydroxyacetic acid (CID 131355216) is 2-[7-(bromomethyl)-3H-benzimidazol-4-yl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[7-(bromomethyl)-3H-benzimidazol-4-yl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[7-(bromomethyl)-3H-benzimidazol-4-yl]-2-hydroxyacetic acid is O=C(O)C(O)c1ccc(CBr)c2nc[nH]c12.
What is the InChIKey of 2-[7-(bromomethyl)-3H-benzimidazol-4-yl]-2-hydroxyacetic acid?
The InChIKey is KUTPYILVEFOYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O3/c11-3-5-1-2-6(9(14)10(15)16)8-7(5)12-4-13-8/h1-2,4,9,14H,3H2,(H,12,13)(H,15,16).
What are the key properties of 2-[7-(bromomethyl)-3H-benzimidazol-4-yl]-2-hydroxyacetic acid?
2-[7-(bromomethyl)-3H-benzimidazol-4-yl]-2-hydroxyacetic acid has a molecular weight of 285.10 g/mol, XLogP of 1.58, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(bromomethyl)-3H-benzimidazol-4-yl]-2-hydroxyacetic acid is sourced from PubChem (CID 131355216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).