1-(3-bromo-5-methoxyphenyl)benzimidazole-4-carboxylic acid

C15H11BrN2O3 — CID 82860467

IUPAC1-(3-bromo-5-methoxyphenyl)benzimidazole-4-carboxylic acid
SMILESCOc1cc(Br)cc(-n2cnc3c(C(=O)O)cccc32)c1
InChIInChI=1S/C15H11BrN2O3/c1-21-11-6-9(16)5-10(7-11)18-8-17-14-12(15(19)20)3-2-4-13(14)18/h2-8H,1H3,(H,19,20)
InChIKeyYJOYQPOUCYWAQH-UHFFFAOYSA-N
MW347.17 g/mol
LogP3.49
Rot. Bonds3

About 1-(3-bromo-5-methoxyphenyl)benzimidazole-4-carboxylic acid

1-(3-bromo-5-methoxyphenyl)benzimidazole-4-carboxylic acid (PubChem CID 82860467) has the molecular formula C15H11BrN2O3 and a molecular weight of 347.17 g/mol. Its IUPAC name is 1-(3-bromo-5-methoxyphenyl)benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-bromo-5-methoxyphenyl)benzimidazole-4-carboxylic acid
PubChem CID82860467
Molecular FormulaC15H11BrN2O3
Molecular Weight347.17 g/mol
Exact Mass346.00
IUPAC Name1-(3-bromo-5-methoxyphenyl)benzimidazole-4-carboxylic acid
SMILESCOc1cc(Br)cc(-n2cnc3c(C(=O)O)cccc32)c1
InChIInChI=1S/C15H11BrN2O3/c1-21-11-6-9(16)5-10(7-11)18-8-17-14-12(15(19)20)3-2-4-13(14)18/h2-8H,1H3,(H,19,20)
InChIKeyYJOYQPOUCYWAQH-UHFFFAOYSA-N
XLogP3.49
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-bromo-5-methoxyphenyl)benzimidazole-4-carboxylic 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

1-[3-(dimethylamino)phenyl]benzimidazole-4-carboxylic acid
CID 115543982
1-(4-ethylphenyl)benzimidazole-4-carboxylic acid
CID 115542688
1-(3-cyanophenyl)benzimidazole-4-carboxylic acid
CID 115542701
1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazole-4-carboxylic acid
CID 107593291
3-(3-bromo-5-methylphenyl)benzimidazole-4-carboxylic acid
CID 107576705
ethyl 5-amino-1-(3-bromo-5-methoxyphenyl)imidazole-4-carboxylate
CID 82858936
1-(3-bromo-5-methylphenyl)-2-methylbenzimidazole-4-carboxylic acid
CID 107576711
1-(2,5-difluorophenyl)benzimidazole-4-carboxylic acid
CID 115542827
1-[5-(benzimidazol-1-yl)-2-phenylphenyl]benzimidazole-4-carboxylic acid
CID 141290744
2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;platinum
CID 91868096
1-(3-bromo-4-methoxyphenyl)benzotriazole-4-carboxylic acid
CID 115541947
1-[2-[2-methoxyethyl(methyl)amino]ethyl]benzimidazole-4-carboxylic acid
CID 115543563

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methoxyphenyl)benzimidazole-4-carboxylic acid?
The IUPAC name of 1-(3-bromo-5-methoxyphenyl)benzimidazole-4-carboxylic acid (CID 82860467) is 1-(3-bromo-5-methoxyphenyl)benzimidazole-4-carboxylic acid.
What is the SMILES notation for 1-(3-bromo-5-methoxyphenyl)benzimidazole-4-carboxylic acid?
The canonical SMILES for 1-(3-bromo-5-methoxyphenyl)benzimidazole-4-carboxylic acid is COc1cc(Br)cc(-n2cnc3c(C(=O)O)cccc32)c1.
What is the InChIKey of 1-(3-bromo-5-methoxyphenyl)benzimidazole-4-carboxylic acid?
The InChIKey is YJOYQPOUCYWAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O3/c1-21-11-6-9(16)5-10(7-11)18-8-17-14-12(15(19)20)3-2-4-13(14)18/h2-8H,1H3,(H,19,20).
What are the key properties of 1-(3-bromo-5-methoxyphenyl)benzimidazole-4-carboxylic acid?
1-(3-bromo-5-methoxyphenyl)benzimidazole-4-carboxylic acid has a molecular weight of 347.17 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methoxyphenyl)benzimidazole-4-carboxylic acid is sourced from PubChem (CID 82860467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).