5-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxymethyl]pyridine-3-carboxylic acid

C24H16ClN5O3 — CID 71730362

About 5-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxymethyl]pyridine-3-carboxylic acid

5-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxymethyl]pyridine-3-carboxylic acid (PubChem CID 71730362) has the molecular formula C24H16ClN5O3 and a molecular weight of 457.88 g/mol. Its IUPAC name is 5-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxymethyl]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxymethyl]pyridine-3-carboxylic acid
• PubChem CID: 71730362
• Molecular Formula: C24H16ClN5O3
• Molecular Weight: 457.88 g/mol
• Exact Mass: 457.09
• IUPAC Name: 5-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxymethyl]pyridine-3-carboxylic acid
• SMILES: O=C(O)c1cncc(COc2ccc(-c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cn3)cn2)c1
• InChI: InChI=1S/C24H16ClN5O3/c25-18-3-5-20-21(8-18)30-23(29-20)16-1-4-19(27-12-16)15-2-6-22(28-11-15)33-13-14-7-17(24(31)32)10-26-9-14/h1-12H,13H2,(H,29,30)(H,31,32)
• InChIKey: ABHLXRBWJLRWKW-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 113.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.88
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxymethyl]pyridine-3-carboxylic acid?

The IUPAC name of 5-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxymethyl]pyridine-3-carboxylic acid (CID 71730362) is 5-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxymethyl]pyridine-3-carboxylic acid.

What is the SMILES notation for 5-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxymethyl]pyridine-3-carboxylic acid?

The canonical SMILES for 5-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxymethyl]pyridine-3-carboxylic acid is O=C(O)c1cncc(COc2ccc(-c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cn3)cn2)c1.

What is the InChIKey of 5-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxymethyl]pyridine-3-carboxylic acid?

The InChIKey is ABHLXRBWJLRWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN5O3/c25-18-3-5-20-21(8-18)30-23(29-20)16-1-4-19(27-12-16)15-2-6-22(28-11-15)33-13-14-7-17(24(31)32)10-26-9-14/h1-12H,13H2,(H,29,30)(H,31,32).

What are the key properties of 5-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxymethyl]pyridine-3-carboxylic acid?

5-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxymethyl]pyridine-3-carboxylic acid has a molecular weight of 457.88 g/mol, XLogP of 5.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxymethyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 71730362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).