1-(5-bromo-2-methylphenyl)benzimidazole-5-carboxylic acid

C15H11BrN2O2 — CID 43806541

IUPAC1-(5-bromo-2-methylphenyl)benzimidazole-5-carboxylic acid
SMILESCc1ccc(Br)cc1-n1cnc2cc(C(=O)O)ccc21
InChIInChI=1S/C15H11BrN2O2/c1-9-2-4-11(16)7-14(9)18-8-17-12-6-10(15(19)20)3-5-13(12)18/h2-8H,1H3,(H,19,20)
InChIKeyPNBMWKQWKMQQEF-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.79
Rot. Bonds2

About 1-(5-bromo-2-methylphenyl)benzimidazole-5-carboxylic acid

1-(5-bromo-2-methylphenyl)benzimidazole-5-carboxylic acid (PubChem CID 43806541) has the molecular formula C15H11BrN2O2 and a molecular weight of 331.17 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)benzimidazole-5-carboxylic acid
PubChem CID43806541
Molecular FormulaC15H11BrN2O2
Molecular Weight331.17 g/mol
Exact Mass330.00
IUPAC Name1-(5-bromo-2-methylphenyl)benzimidazole-5-carboxylic acid
SMILESCc1ccc(Br)cc1-n1cnc2cc(C(=O)O)ccc21
InChIInChI=1S/C15H11BrN2O2/c1-9-2-4-11(16)7-14(9)18-8-17-12-6-10(15(19)20)3-5-13(12)18/h2-8H,1H3,(H,19,20)
InChIKeyPNBMWKQWKMQQEF-UHFFFAOYSA-N
XLogP3.79
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-fluorophenyl)benzimidazole-5-carboxylic acid
CID 43566681
1-(2-bromo-4-methylphenyl)benzimidazole-5-carboxylic acid
CID 43566633
1-(3-bromo-4-methylphenyl)benzimidazole-5-carboxylic acid
CID 63547813
3-(6-bromo-4-oxoquinazolin-3-yl)-4-methylbenzoic acid
CID 69229431
4-(5-bromobenzimidazol-1-yl)benzoic acid
CID 167161055
1-(3-bromophenyl)benzimidazole-5-carboxylic acid;ethane
CID 143546276
4-bromo-2-(5,6-dimethylbenzimidazol-1-yl)benzoic acid
CID 43364788
3-(5-bromo-2-fluorophenyl)benzimidazole-5-carboxylic acid
CID 82790695
1-(1,5-dimethylpyrazol-3-yl)benzimidazole-5-carboxylic acid
CID 114253802
3-(4-bromo-2-cyanophenyl)benzimidazole-5-carboxylic acid
CID 82778261
1-(2-propylphenyl)benzimidazole-5-carboxylic acid
CID 63549717
2-(4-bromophenyl)-1-methylbenzimidazole-5-carboxylic acid
CID 63893020

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 1-(5-bromo-2-methylphenyl)benzimidazole-5-carboxylic acid (CID 43806541) is 1-(5-bromo-2-methylphenyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)benzimidazole-5-carboxylic acid is Cc1ccc(Br)cc1-n1cnc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)benzimidazole-5-carboxylic acid?
The InChIKey is PNBMWKQWKMQQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2/c1-9-2-4-11(16)7-14(9)18-8-17-12-6-10(15(19)20)3-5-13(12)18/h2-8H,1H3,(H,19,20).
What are the key properties of 1-(5-bromo-2-methylphenyl)benzimidazole-5-carboxylic acid?
1-(5-bromo-2-methylphenyl)benzimidazole-5-carboxylic acid has a molecular weight of 331.17 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 43806541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).