1-(2,5-dimethoxyphenyl)benzimidazole-5-carboxylic acid

C16H14N2O4 — CID 3239142

IUPAC1-(2,5-dimethoxyphenyl)benzimidazole-5-carboxylic acid
SMILESCOc1ccc(OC)c(-n2cnc3cc(C(=O)O)ccc32)c1
InChIInChI=1S/C16H14N2O4/c1-21-11-4-6-15(22-2)14(8-11)18-9-17-12-7-10(16(19)20)3-5-13(12)18/h3-9H,1-2H3,(H,19,20)
InChIKeyQMADMVRXHYGRER-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.74
Rot. Bonds4

About 1-(2,5-dimethoxyphenyl)benzimidazole-5-carboxylic acid

1-(2,5-dimethoxyphenyl)benzimidazole-5-carboxylic acid (PubChem CID 3239142) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)benzimidazole-5-carboxylic acid
PubChem CID3239142
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name1-(2,5-dimethoxyphenyl)benzimidazole-5-carboxylic acid
SMILESCOc1ccc(OC)c(-n2cnc3cc(C(=O)O)ccc32)c1
InChIInChI=1S/C16H14N2O4/c1-21-11-4-6-15(22-2)14(8-11)18-9-17-12-7-10(16(19)20)3-5-13(12)18/h3-9H,1-2H3,(H,19,20)
InChIKeyQMADMVRXHYGRER-UHFFFAOYSA-N
XLogP2.74
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 1-(2,5-dimethoxyphenyl)benzimidazole-5-carboxylic acid (CID 3239142) is 1-(2,5-dimethoxyphenyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)benzimidazole-5-carboxylic acid is COc1ccc(OC)c(-n2cnc3cc(C(=O)O)ccc32)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)benzimidazole-5-carboxylic acid?
The InChIKey is QMADMVRXHYGRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-21-11-4-6-15(22-2)14(8-11)18-9-17-12-7-10(16(19)20)3-5-13(12)18/h3-9H,1-2H3,(H,19,20).
What are the key properties of 1-(2,5-dimethoxyphenyl)benzimidazole-5-carboxylic acid?
1-(2,5-dimethoxyphenyl)benzimidazole-5-carboxylic acid has a molecular weight of 298.30 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 3239142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).