3-(2-bromo-5-chlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid

C14H8BrClN2O3 — CID 82770012

IUPAC3-(2-bromo-5-chlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c(=O)n(-c3cc(Cl)ccc3Br)c2c1
InChIInChI=1S/C14H8BrClN2O3/c15-9-3-2-8(16)6-11(9)18-12-5-7(13(19)20)1-4-10(12)17-14(18)21/h1-6H,(H,17,21)(H,19,20)
InChIKeyQWFGNDGVYHRDJO-UHFFFAOYSA-N
MW367.59 g/mol
LogP3.43
Rot. Bonds2

About 3-(2-bromo-5-chlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid

3-(2-bromo-5-chlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid (PubChem CID 82770012) has the molecular formula C14H8BrClN2O3 and a molecular weight of 367.59 g/mol. Its IUPAC name is 3-(2-bromo-5-chlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-bromo-5-chlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
PubChem CID82770012
Molecular FormulaC14H8BrClN2O3
Molecular Weight367.59 g/mol
Exact Mass365.94
IUPAC Name3-(2-bromo-5-chlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c(=O)n(-c3cc(Cl)ccc3Br)c2c1
InChIInChI=1S/C14H8BrClN2O3/c15-9-3-2-8(16)6-11(9)18-12-5-7(13(19)20)1-4-10(12)17-14(18)21/h1-6H,(H,17,21)(H,19,20)
InChIKeyQWFGNDGVYHRDJO-UHFFFAOYSA-N
XLogP3.43
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.59
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-2-methylphenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82770175
3-(4-chlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82783701
3-(2-bromo-3-chlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 103480365
3-(2,3-dichlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82770469
3-(2-fluoro-5-methylphenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82769492
3-(2-ethylphenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82770328
3-(2-bromo-5-chlorophenyl)benzotriazole-5-carboxylic acid
CID 82784559
1-(2,3-dichlorophenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 29077044
1-(2-chloro-4-iodophenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 107607007
1-(2-chloro-4-methylphenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 29077056
3-(dimethylamino)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 83015711
3-(3-chlorophenyl)-2,4-dioxo-1H-quinazoline-7-carboxylic acid
CID 16774187

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-chlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid?
The IUPAC name of 3-(2-bromo-5-chlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid (CID 82770012) is 3-(2-bromo-5-chlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-bromo-5-chlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 3-(2-bromo-5-chlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid is O=C(O)c1ccc2[nH]c(=O)n(-c3cc(Cl)ccc3Br)c2c1.
What is the InChIKey of 3-(2-bromo-5-chlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid?
The InChIKey is QWFGNDGVYHRDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClN2O3/c15-9-3-2-8(16)6-11(9)18-12-5-7(13(19)20)1-4-10(12)17-14(18)21/h1-6H,(H,17,21)(H,19,20).
What are the key properties of 3-(2-bromo-5-chlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid?
3-(2-bromo-5-chlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid has a molecular weight of 367.59 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-chlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 82770012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).