3-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid

C22H19ClN4O3 — CID 71730238

About 3-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid

3-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid (PubChem CID 71730238) has the molecular formula C22H19ClN4O3 and a molecular weight of 422.87 g/mol. Its IUPAC name is 3-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid.

Molecular Properties

• Compound Name: 3-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid
• PubChem CID: 71730238
• Molecular Formula: C22H19ClN4O3
• Molecular Weight: 422.87 g/mol
• Exact Mass: 422.11
• IUPAC Name: 3-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid
• SMILES: CC(C)(COc1ccc(-c2ccc(-c3nc4ccc(Cl)cc4[nH]3)cn2)cn1)C(=O)O
• InChI: InChI=1S/C22H19ClN4O3/c1-22(2,21(28)29)12-30-19-8-4-13(10-25-19)16-6-3-14(11-24-16)20-26-17-7-5-15(23)9-18(17)27-20/h3-11H,12H2,1-2H3,(H,26,27)(H,28,29)
• InChIKey: VIESBBSLVITZSP-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 100.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.87
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid?

The IUPAC name of 3-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid (CID 71730238) is 3-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid.

What is the SMILES notation for 3-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid?

The canonical SMILES for 3-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid is CC(C)(COc1ccc(-c2ccc(-c3nc4ccc(Cl)cc4[nH]3)cn2)cn1)C(=O)O.

What is the InChIKey of 3-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid?

The InChIKey is VIESBBSLVITZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O3/c1-22(2,21(28)29)12-30-19-8-4-13(10-25-19)16-6-3-14(11-24-16)20-26-17-7-5-15(23)9-18(17)27-20/h3-11H,12H2,1-2H3,(H,26,27)(H,28,29).

What are the key properties of 3-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid?

3-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid has a molecular weight of 422.87 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 71730238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).