3-(2,6-dibromophenyl)benzimidazole-4-carboxylic acid

C14H8Br2N2O2 — CID 107602181

IUPAC3-(2,6-dibromophenyl)benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2ncn(-c3c(Br)cccc3Br)c12
InChIInChI=1S/C14H8Br2N2O2/c15-9-4-2-5-10(16)13(9)18-7-17-11-6-1-3-8(12(11)18)14(19)20/h1-7H,(H,19,20)
InChIKeyOFPZHIJMGPPQQY-UHFFFAOYSA-N
MW396.04 g/mol
LogP4.25
Rot. Bonds2

About 3-(2,6-dibromophenyl)benzimidazole-4-carboxylic acid

3-(2,6-dibromophenyl)benzimidazole-4-carboxylic acid (PubChem CID 107602181) has the molecular formula C14H8Br2N2O2 and a molecular weight of 396.04 g/mol. Its IUPAC name is 3-(2,6-dibromophenyl)benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(2,6-dibromophenyl)benzimidazole-4-carboxylic acid
PubChem CID107602181
Molecular FormulaC14H8Br2N2O2
Molecular Weight396.04 g/mol
Exact Mass393.90
IUPAC Name3-(2,6-dibromophenyl)benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2ncn(-c3c(Br)cccc3Br)c12
InChIInChI=1S/C14H8Br2N2O2/c15-9-4-2-5-10(16)13(9)18-7-17-11-6-1-3-8(12(11)18)14(19)20/h1-7H,(H,19,20)
InChIKeyOFPZHIJMGPPQQY-UHFFFAOYSA-N
XLogP4.25
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.04
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromo-5-methylphenyl)benzimidazole-4-carboxylic acid
CID 107576705
3-(2-iodophenyl)benzimidazole-4-carboxylic acid
CID 112577044
3-thiophen-3-ylbenzimidazole-4-carboxylic acid
CID 112577374
3-(2,4-dimethylphenyl)benzimidazole-4-carboxylic acid
CID 115932632
3-(3-chloro-4-methylphenyl)benzimidazole-4-carboxylic acid
CID 115932693
3-(4-fluoro-2-iodophenyl)benzimidazole-4-carboxylic acid
CID 115933592
3-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-4-carboxylic acid
CID 107464232
3-(4-methoxy-2-methylphenyl)benzimidazole-4-carboxylic acid
CID 115933322
3-(2-chloro-5-cyanophenyl)benzimidazole-4-carboxylic acid
CID 115933623
3-(4-methoxy-3-methylphenyl)benzimidazole-4-carboxylic acid
CID 115933110
3-[(3-bromophenyl)methyl]benzimidazole-4-carboxylic acid
CID 115933018
3-propylbenzimidazole-4-carboxylic acid
CID 82647147

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dibromophenyl)benzimidazole-4-carboxylic acid?
The IUPAC name of 3-(2,6-dibromophenyl)benzimidazole-4-carboxylic acid (CID 107602181) is 3-(2,6-dibromophenyl)benzimidazole-4-carboxylic acid.
What is the SMILES notation for 3-(2,6-dibromophenyl)benzimidazole-4-carboxylic acid?
The canonical SMILES for 3-(2,6-dibromophenyl)benzimidazole-4-carboxylic acid is O=C(O)c1cccc2ncn(-c3c(Br)cccc3Br)c12.
What is the InChIKey of 3-(2,6-dibromophenyl)benzimidazole-4-carboxylic acid?
The InChIKey is OFPZHIJMGPPQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2N2O2/c15-9-4-2-5-10(16)13(9)18-7-17-11-6-1-3-8(12(11)18)14(19)20/h1-7H,(H,19,20).
What are the key properties of 3-(2,6-dibromophenyl)benzimidazole-4-carboxylic acid?
3-(2,6-dibromophenyl)benzimidazole-4-carboxylic acid has a molecular weight of 396.04 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dibromophenyl)benzimidazole-4-carboxylic acid is sourced from PubChem (CID 107602181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).