2-(6-methoxy-2-pyridinyl)-1H-benzimidazole-4-carboxylic acid

C14H11N3O3 — CID 66984886

IUPAC2-(6-methoxy-2-pyridinyl)-1H-benzimidazole-4-carboxylic acid
SMILESCOc1cccc(-c2nc3c(C(=O)O)cccc3[nH]2)n1
InChIInChI=1S/C14H11N3O3/c1-20-11-7-3-6-10(15-11)13-16-9-5-2-4-8(14(18)19)12(9)17-13/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyCJLQYAZLBYXSSX-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.33
Rot. Bonds3

About 2-(6-methoxy-2-pyridinyl)-1H-benzimidazole-4-carboxylic acid

2-(6-methoxy-2-pyridinyl)-1H-benzimidazole-4-carboxylic acid (PubChem CID 66984886) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-(6-methoxy-2-pyridinyl)-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(6-methoxy-2-pyridinyl)-1H-benzimidazole-4-carboxylic acid
PubChem CID66984886
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name2-(6-methoxy-2-pyridinyl)-1H-benzimidazole-4-carboxylic acid
SMILESCOc1cccc(-c2nc3c(C(=O)O)cccc3[nH]2)n1
InChIInChI=1S/C14H11N3O3/c1-20-11-7-3-6-10(15-11)13-16-9-5-2-4-8(14(18)19)12(9)17-13/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyCJLQYAZLBYXSSX-UHFFFAOYSA-N
XLogP2.33
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-2-pyridinyl)-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-(6-methoxy-2-pyridinyl)-1H-benzimidazole-4-carboxylic acid (CID 66984886) is 2-(6-methoxy-2-pyridinyl)-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-(6-methoxy-2-pyridinyl)-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-(6-methoxy-2-pyridinyl)-1H-benzimidazole-4-carboxylic acid is COc1cccc(-c2nc3c(C(=O)O)cccc3[nH]2)n1.
What is the InChIKey of 2-(6-methoxy-2-pyridinyl)-1H-benzimidazole-4-carboxylic acid?
The InChIKey is CJLQYAZLBYXSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-20-11-7-3-6-10(15-11)13-16-9-5-2-4-8(14(18)19)12(9)17-13/h2-7H,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-(6-methoxy-2-pyridinyl)-1H-benzimidazole-4-carboxylic acid?
2-(6-methoxy-2-pyridinyl)-1H-benzimidazole-4-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-2-pyridinyl)-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 66984886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).