3-(2,3-dimethylphenyl)benzimidazole-5-carboxylic acid

C16H14N2O2 — CID 82790901

IUPAC3-(2,3-dimethylphenyl)benzimidazole-5-carboxylic acid
SMILESCc1cccc(-n2cnc3ccc(C(=O)O)cc32)c1C
InChIInChI=1S/C16H14N2O2/c1-10-4-3-5-14(11(10)2)18-9-17-13-7-6-12(16(19)20)8-15(13)18/h3-9H,1-2H3,(H,19,20)
InChIKeyWHIYECKJDXUEOR-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.34
Rot. Bonds2

About 3-(2,3-dimethylphenyl)benzimidazole-5-carboxylic acid

3-(2,3-dimethylphenyl)benzimidazole-5-carboxylic acid (PubChem CID 82790901) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-(2,3-dimethylphenyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2,3-dimethylphenyl)benzimidazole-5-carboxylic acid
PubChem CID82790901
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name3-(2,3-dimethylphenyl)benzimidazole-5-carboxylic acid
SMILESCc1cccc(-n2cnc3ccc(C(=O)O)cc32)c1C
InChIInChI=1S/C16H14N2O2/c1-10-4-3-5-14(11(10)2)18-9-17-13-7-6-12(16(19)20)8-15(13)18/h3-9H,1-2H3,(H,19,20)
InChIKeyWHIYECKJDXUEOR-UHFFFAOYSA-N
XLogP3.34
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-iodophenyl)benzimidazole-5-carboxylic acid
CID 82790606
3-(2,5-dichloro-4-methylphenyl)benzimidazole-5-carboxylic acid
CID 104727768
3-(3-chlorophenyl)benzimidazole-5-carboxylic acid
CID 82790283
3-(4-methoxy-1H-pyrrol-3-yl)benzimidazole-5-carboxylic acid
CID 176893020
3-(benzimidazol-1-yl)-2-methylbenzoic acid
CID 70364781
3-(4-chloro-2-fluorophenyl)benzimidazole-5-carboxylic acid
CID 82790998
3-(2,3,5-trifluorophenyl)benzimidazole-5-carboxylic acid
CID 82774507
3-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-5-carboxylic acid
CID 107464233
3-(4-iodophenyl)benzimidazole-5-carboxylic acid
CID 82790830
3-(5-bromo-2-fluorophenyl)benzimidazole-5-carboxylic acid
CID 82790695
3-(3-bromo-5-methylphenyl)benzimidazole-5-carboxylic acid
CID 107576704
3-[2-fluoro-3-[4-(trifluoromethoxy)phenyl]phenyl]benzimidazole-5-carboxylic acid
CID 66550416

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylphenyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 3-(2,3-dimethylphenyl)benzimidazole-5-carboxylic acid (CID 82790901) is 3-(2,3-dimethylphenyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-(2,3-dimethylphenyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 3-(2,3-dimethylphenyl)benzimidazole-5-carboxylic acid is Cc1cccc(-n2cnc3ccc(C(=O)O)cc32)c1C.
What is the InChIKey of 3-(2,3-dimethylphenyl)benzimidazole-5-carboxylic acid?
The InChIKey is WHIYECKJDXUEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-10-4-3-5-14(11(10)2)18-9-17-13-7-6-12(16(19)20)8-15(13)18/h3-9H,1-2H3,(H,19,20).
What are the key properties of 3-(2,3-dimethylphenyl)benzimidazole-5-carboxylic acid?
3-(2,3-dimethylphenyl)benzimidazole-5-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylphenyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 82790901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).