3-(4-methoxy-3-methylphenyl)benzimidazole-4-carboxylic acid

C16H14N2O3 — CID 115933110

IUPAC3-(4-methoxy-3-methylphenyl)benzimidazole-4-carboxylic acid
SMILESCOc1ccc(-n2cnc3cccc(C(=O)O)c32)cc1C
InChIInChI=1S/C16H14N2O3/c1-10-8-11(6-7-14(10)21-2)18-9-17-13-5-3-4-12(15(13)18)16(19)20/h3-9H,1-2H3,(H,19,20)
InChIKeyMHTIEJINEJRHPP-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.04
Rot. Bonds3

About 3-(4-methoxy-3-methylphenyl)benzimidazole-4-carboxylic acid

3-(4-methoxy-3-methylphenyl)benzimidazole-4-carboxylic acid (PubChem CID 115933110) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-(4-methoxy-3-methylphenyl)benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-methoxy-3-methylphenyl)benzimidazole-4-carboxylic acid
PubChem CID115933110
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name3-(4-methoxy-3-methylphenyl)benzimidazole-4-carboxylic acid
SMILESCOc1ccc(-n2cnc3cccc(C(=O)O)c32)cc1C
InChIInChI=1S/C16H14N2O3/c1-10-8-11(6-7-14(10)21-2)18-9-17-13-5-3-4-12(15(13)18)16(19)20/h3-9H,1-2H3,(H,19,20)
InChIKeyMHTIEJINEJRHPP-UHFFFAOYSA-N
XLogP3.04
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chloro-4-methylphenyl)benzimidazole-4-carboxylic acid
CID 115932693
3-(5-chloro-2-methoxyphenyl)benzimidazole-4-carboxylic acid
CID 115932710
3-(4-methoxy-2-methylphenyl)benzimidazole-4-carboxylic acid
CID 115933322
3-(3-bromo-5-methylphenyl)benzimidazole-4-carboxylic acid
CID 107576705
3-(2,4-dimethylphenyl)benzimidazole-4-carboxylic acid
CID 115932632
3-thiophen-3-ylbenzimidazole-4-carboxylic acid
CID 112577374
3-(2,6-dibromophenyl)benzimidazole-4-carboxylic acid
CID 107602181
3-(2-iodophenyl)benzimidazole-4-carboxylic acid
CID 112577044
2-methoxy-3-(4-methoxy-3-methylphenyl)benzoic acid
CID 53226287
4-iodo-1-(4-methoxy-3-methylphenyl)pyrrole-2-carboxylic acid
CID 114604478
2-methoxy-5-(2-methylimidazol-1-yl)benzoic acid
CID 82513098
3-(4-fluoro-2-iodophenyl)benzimidazole-4-carboxylic acid
CID 115933592

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-methylphenyl)benzimidazole-4-carboxylic acid?
The IUPAC name of 3-(4-methoxy-3-methylphenyl)benzimidazole-4-carboxylic acid (CID 115933110) is 3-(4-methoxy-3-methylphenyl)benzimidazole-4-carboxylic acid.
What is the SMILES notation for 3-(4-methoxy-3-methylphenyl)benzimidazole-4-carboxylic acid?
The canonical SMILES for 3-(4-methoxy-3-methylphenyl)benzimidazole-4-carboxylic acid is COc1ccc(-n2cnc3cccc(C(=O)O)c32)cc1C.
What is the InChIKey of 3-(4-methoxy-3-methylphenyl)benzimidazole-4-carboxylic acid?
The InChIKey is MHTIEJINEJRHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-10-8-11(6-7-14(10)21-2)18-9-17-13-5-3-4-12(15(13)18)16(19)20/h3-9H,1-2H3,(H,19,20).
What are the key properties of 3-(4-methoxy-3-methylphenyl)benzimidazole-4-carboxylic acid?
3-(4-methoxy-3-methylphenyl)benzimidazole-4-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-methylphenyl)benzimidazole-4-carboxylic acid is sourced from PubChem (CID 115933110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).